Member of the "Physics of Correlated Matter" Group at the MPI CPfS

Dept. Physics of Correlated Matter

PKM Member

Deepa Kasinathan
Max-Planck Institute for Chemical Physics of Solids
Nöthnitzer Str. 40
01187 Dresden, Germany

Phone:
  +49 351 4646 4205
Fax:
  +49 351 4646 4602

E-mail: Deepa.Kasinathan@cpfs.mpg.de
Deepa Kasinathan
Personal background

1999   Undergraduate degree (B.Sc.) in Physics from the South Indian Education Society (S.I.E.S.), University of Mumbai, India.

2001   Masters degree (M.Sc.) in Physics from the Indian Institute of Technology (IIT), Mumbai, India. Thesis work with Prof. Indra Dasgupta. Title: "First Principles Study of Complex Crystalline Solids" (Emphasis was in understanding the electronic structure andthermoelectric properties of Narrow-gap materials FeVSb, FeNbSb and Chevrel phases.)

2006   Ph.D in Physics from University of California, Davis, U.S.A. with Prof. Warren. E. Pickett. Thesis title: "Computational Study of Materials Under Pressure" (Systems considered where CoN, MnO-a Mott insulator and Li-a superconductor under pressure)

Particpant in the U.S. Department of Energy Stewardship Science Academic Alliances Program (US DOE SSAAP) "High-Pressure Thermodynamic Properties of f-electron Metals, Transition Metal Oxides, and Half-Metallic Magnets. Report

Participant in the U.S. Department of Energy Computational Materials Science Network (US DOE CMSN) "Predictive Capability for Strongly Correlated Systems". Project website and Review Document

Sept 2006 - Oct 2009   Post-doctoral researcher in the Emmy Noether Group headed by Dr. Helge Rosner at the Max-Planck Institute for Chemical Physics of Solids (MPI CPfS), Dresden, Germany.

Nov 2009 - Jan 2014   (in part) Project Scientist at the Max-Planck Institute for Chemical Physics of Solids (MPI CPfS), Dresden, Germany. Funding from German Science Foundation (Deutsche Forschungsgemeinschaft) grant via the Priority program (Schwerpunktprogramm) "Nanostrukturierte Thermoelektrika: Theorie, Modellsysteme und kontrollierte Synthese" ( SPP 1386 ). Project leaders: Dr. Helge Rosner (MPI CPfS) and Dr. Jesus Vicente Pacheco-Espejel (IFAM, Dresden). Title of the project: Nanostrukturierung von Clathraten M8Ga16Ge30 (M= Ba, Sr). Project website

Nov 2009 - Jan 2014   (in part) Project Scientist at the Max-Planck Institute for Chemical Physics of Solids (MPI CPfS), Dresden, Germany. Funding from German Science Foundation (Deutsche Forschungsgemeinschaft) grant via the Priority program (Schwerpunktprogramm) "High Temperature Superconductivity in Iron Pnictides" ( SPP 1458). Project leader: Dr. Andreas Leithe-Jasper (MPI CPfS). Beteiligte Person: Dr. Helge Rosner (MPI CPfS). Title of the project: Crystal structure, phase diagram, electronic, magnetic and superconducting properties of AFe2-xMxAs2 -a joint experimental and theoretical study. Project website

Feb 2014 - Dec 2016   Project Scientist in the department: Physics of Correlated Matter (Prof. Liu Hao Tjeng); MPI CPfS, Dresden. Funding from German Science Foundation (Deutsche Forschungsgemeinschaft) grant via the Research Unit FOR 1346 "Dynamical Mean-Field Approach with Predictive Power for Strongly Correlated Materials". Project leaders: Dr. Maurits Haverkort (MPI CPfS), and Prof. Liu Hao Tjeng (MPI CPfS). Title of the project: Electronic structure of exemplary correlated materials. Project website

Since Jan 2017   Project Scientist in the department: Physics of Correlated Matter (Prof. Liu Hao Tjeng); MPI CPfS, Dresden. Funding from German Science Foundation (Deutsche Forschungsgemeinschaft) grant via the Priority program (Schwerpunktprogramm) "Topological Insulators: Materials - Fundamental Properties - Devices" ( SPP 1666 ). Project leader: Prof. Liu Hao Tjeng. Title of the project: In-situ Verbindung von supraleitenden und ferromagnetischen Materialien mit topologischen Isolatoren durch Prozessfhrung im Ultrahochvakuum. Project website

Scientific research topic

Electronic structure, magnetic and superconducting properties of crystalline solids using experiments, density functional theory (DFT) and beyond

Abstract of scientific research topic

Topological insulators are materials which exhibit a fundamentally new physical phenomena that was first predicted by theorists and subsequently ascertained in experiments. Recent theoretical studies predict that also strongly correlated systems can show non-trivial topological properties, thereby allowing even the emergence of surface phenomena that are not possible with topological band insulators. Using DFT, we identify strongly correlated materials with non-trivial topology.

Electronic structure, lattice dynamics and the thermoelectric power of Clathrates and other intermetallic compounds.

The new family of Fe pnictide superconductors. In particular the AFe2As2 (A = Sr, Ba, Ca, Eu) systems. We use DFT to understand the electronic structure of these systems.

Many spin 1/2 transition metal oxides and halides have a 4+2 coordination of anions around them. This creates an octahedral crystal field which in turn splits the five d orbitals into low lying triplets and a higher lying doublet. There needs to be an additional splitting of the higher lying doublet together with strong correlations to drive these systems to a spin 1/2 insulator. Many transition metal oxides and halides undergo a distortion (i.e. elongation of the octahedra) to induce a splitting of the eg orbitals, with the antibonding orbital of dx2-y2 symmetry carrying the moment. Interestingly there are systems which choose not to distort in this way but show a strong competition between different orbitally ordered ground states. From these small energy differences between different orbital occupations the strong correlations can select several unusual orbital pattern. We are interested in finding the correct orbital-order pattern using DFT calculations.


Teaching

    Oct 2016 - Feb 2017: Practical Quantum Mechanics for Experimental Solid State Physicists - Co-teaching with Prof. Liu Hao Tjeng Link

    Oct 2017 - Feb 2018: Practical Quantum Mechanics for Experimental Solid State Physicists - I: Modelling Complex Phenomena using Tight Binding methods - Co-teaching with Prof. Liu Hao Tjeng Link

Press Coverage

    Scienceblogs by Sabine Sütterlin (in german)
    Spiel mit Käfigen

    Research report 2011 - Max Planck Institute for Chemical Physics of Solids (in german)
    From alchemy towards quantum dynamics: unravelling the secret of superconducting, magnetism and structural instabilities in iron pnictides

Publications


No
Author(s)
Title
 
62
D. Takegami, L. Nicolaï, T. C. Koethe, D Kasinathan, C. Y. Kuo, Y. F. Liao, K. D. Tsuei, G. Pannaccione, F. Offi, G. Monaco, N. B. Brookes, J. Minár, L. H. Tjeng Valence band hard x-ray photoelectron spectroscopy on 3d transition-metal oxides containing rare-earth elements, Physical Review B vol. 99, 165101 (2019). DOI download
 
61
Ulrich Schwarz, Deepa Kasinathan, Carina Bergner, Jens Hunger, Katrin Meier-Kircher, Lev Akselrud, Michael Hanfland, Mohamed Mezouar, Konstantin Glazyrin, Graham W. Stinton, Rachel Husband, Helge Rosner and Malcolm I. McMahon Distortions in the cubic primitive high-pressure phases of calcium, Journal of Physics: Condensed Matter vol. 31, 065401 (2019). DOI download
 
60
Lin Jiao, Sahana Röβler, Deepa Kasinathan, Priscila F. S. Rosa, Chunyu Guo, Huiqiu Yuan, Chao-Xing Liu, Zachary Fisk, Frank Steglich and Steffen Wirth Magnetic and defect probes of the SmB6 surface state, Science Advances vol. 4, eaau4886 (2018). DOI download supplement
 
59
Roman Tkachov, Lukas Stepien, Robert Grafe, Olga Guskova, Anton Kiriy, Frank Simon, Heiko Reith, Kornelius Nielsch, Gabi Schierning, Deepa Kasinathan and Christoph Leyens Polyethenetetrathiolate or polytetrathiooxalate? Improved synthesis, a comparative analysis of a prominent thermoelectric polymer and implications to the charge transport mechanism, Polymer Chemistry vol. 9, 4543 (2018). DOI download
 
58
V. Yu. Verchenko, A. A. Tsirlin, D. Kasinathan, S. V. Zhurenko, A. A. Gippius, and A. V. Shevelkov Antiferromagnetic ground state in the MnGa4 intermetallic compound, Phys. Rev. Materials vol. 2, 044408 (2018). DOI download
 
57
Yuki Utsumi, Deepa Kasinathan, Przemyslaw Swatek, Oleksandr Bednarchuk, Dariusz Kaczorowski, James M. Ablett, and Jean-Pascal Rueff Bulk electronic structure of non-centrosymmetric EuTGe3 (T= Co, Ni, Rh, Ir) studied by hard x-ray photoelectron spectroscopy, Phys. Rev. B vol. 97, 115155 (2018). DOI download
 
56
M. Sundermann, H. Yavas, K. Chen, D.J. Kim, Z. Fisk, D. Kasinathan, M. W. Haverkort, P. Thalmeier, A. Severing, and L. H. Tjeng 4f crystal field ground state of the strongly correlated topological insulator SmB6, Phys. Rev. Lett. vol. 120, 016402 (2018). DOI download supplement
 
55
K. Mydeen, D. Kasinathan, C. Koz, S. Röβler, U. K. Röβler, M. Hanfland, A. A. Tsirlin, U. Schwarz, S. Wirth, H. Rosner, M. Nicklas Pressure-induced ferromagnetism due to an anisotropic electronic topological transition in Fe1.08Te, Phys. Rev. Lett. vol. 119, 227003 (2017). DOI download supplement
 
54
A. K. Efimenko, N. Hollmann, K. Hoefer, J. Weinen, D. Takegami, K. K. Wolff, S. G. Altendorf, Z. Hu, A. D. Rata, A. C. Komarek, A. A. Nugroho, Y. F. Liao, K.-D. Tsuei, H. H. Hsieh, H.-J. Lin, C. T. Chen, L. H. Tjeng, D. Kasinathan Electronic signature of the vacancy ordering in NbO (Nb3O3), Phys. Rev. B vol. 96, 195112 (2017). DOI download
 
53
Y. Utsumi, D. Kasinathan , K-T. Ko, S. Agrestini, M. W. Haverkort, S. Wirth, Y-H. Wu, K-D. Tsuei, D-J. Kim, Z. Fisk, A. Tanaka, P. Thalmeier, L. H. Tjeng Bulk and surface electronic properties of SmB6: a hard x-ray photoelectron spectroscopy study, Phys. Rev. B vol. 96, 155130 (2017). DOI download
 
52
S. Agrestini, C. -Y. Kuo, K. -T. Ko, Z. Hu, Deepa Kasinathan , H. Babu Vasili, J. Herrero-Martin, S. M. Valvidares, E. Pellegrin, L. -Y. Yang, A. Henschel, M. Schmidt, A. Tanaka, L. H. Tjeng Electronically highly cubic conditions for Ru in α-RuCl3, Phys. Rev. B (Rapid) vol. 96, 161107 (2017). DOI download
 
51
Lin Jiao, Sahana Röβler, Cevriye Koz, Ulrich Schwarz, Deepa Kasinathan , Ulrich K. Röβler, Steffen Wirth Impurity-induced bound states inside the superconducting gap of FeSe, Phys. Rev. B vol. 96, 094504 (2017). DOI download
 
50
V. Sunko, H. Rosner, P. Kushwaha, S. Khim, F. Mazzola, L. Bawden, O. J. Clark, J. M. Riley, Deepa Kasinathan, M. W. Haverkort, T. K. Kim, M. Hoesch, J. Fujii, I. Vobornik, A. P. Mackenzie, P. D. C. King Maximal Rashba-like spin splitting via kinetic energy-driven inversion symmetry breaking, Nature vol. 549, 492-496 (2017). DOI download
 
49
H. Yasuoka, T. Kubo, Y. Kishimoto, Deepa Kasinathan, M. Schmidt, B. Yan, Y. Zhang, H. Tou, C. Felser, A. P. Mackenzie, and M. Baenitz Emergent Weyl Fermion Excitations in TaP Explored by 181Ta Quadrupole Resonance, Phys. Rev. Lett vol. 118, 236403 (2017). DOI download supplement
 
48
S. Agrestini, C.-Y. Kuo, M. Moretti Sala, Z. Hu, Deepa Kasinathan, K.-T. Ko, P. Glatzel, M. Rossi, J.-D. Cafun, K. O. Kvashnina, A. Matsumoto, T. Takayama, H. Takagi, L. H. Tjeng, M. W. Haverkort Long-range interactions in the effective low energy Hamiltonian of Sr2IrO4: a core-to-core resonant inelastic x-ray scattering study, Phys. Rev. B vol. 95, 205123 (2017). DOI download
 
47
Andreas Reisner, Deepa Kasinathan, Steffen Wirth, Liu Hao Tjeng, Simone G. Altendorf Valence state of Sm in single-crystalline EuO thin films, European Phys. Lett. vol. 117, 47001 (2017). DOI download
 
46
Sebastian Schneider, Darius Pohl, Stefan Löffler, Ján Rusz, Deepa Kasinathan , Peter Schattschneider, Ludwig Schultz, and Bernd Rellinghaus Magnetic properties of single nanomagnets: Electron energy-loss magnetic chiral dichroism on FePt nanoparticles, Ultramicroscopy vol. 171, 186 (2016). DOI download
 
45
K. M. Ranjith, R. Nath, M. Majumder, D. Kasinathan, M. Skoulatos, L. Keller, Y. Skourski, M. Baenitz, and A. A. Tsirlin Commensurate and incommensurate magnetic order in spin-1 chains stacked on the triangular lattice in Li2NiW2O8, Phys. Rev. B vol. 94, 014415 (2016). DOI download
 
44
K. Koepernik, D. Kasinathan , D.V. Efremov, Seunghyun Khim, Sergey Borisenko, Bernd Büchner, and Jeroen van den Brink TaIrTe4: A ternary type-II Weyl semimetal, Phys. Rev. B vol. 93, 201101(R) (2016). DOI download supplemental info.
 
43
J. Weinen, T.C. Koethe, S. Agrestini, D. Kasinathan , F. Strigari, T. Haupricht, Y.F. Liao, K.-D. Tsuei and L.H. Tjeng Optimizing Polarization Dependent Hard X-ray Photoemission Experiments for Solids, Book Chapter Hard X-ray Photoelectron Spectroscopy (HAXPES) , Springer Series in Surface Sciences, 2016 (Editor: Joseph C. Woicik). DOI download
 
42
V. Pacheco, H. Görlitz, M. Wagner-Reetz, Deepa Kasinathan, R. Cardoso-Gil, W. Carrillo-Cabrera, K. Meier-Kirchner, H. Rosner and Yu. Grin Nanostructuring of Ba8Ga16Ge30 clathrates by sol-gel-calcination/chemical-reduction route, Physica Status Solidi A: Applications and Materials Science , vol. 213, No. 3, 774-783, 2016. DOI download
 
41
Martin Sundermann, Fabio Strigari, Thomas Willers, Hannes Winkler, Andrey Prokofiev, James Ablett, Jean-Pascal Rueff, Detlef Schmitz, Eugen Weschke, Marco Moretti Sala, Ali Al-Zein, Arata Tanaka, Maurits Haverkort, Deepa Kasinathan, Liu Hao Tjeng, Silke Paschen, and Andrea Severing CeRu4Sn6: a strongly correlated material with nontrivial topology, Scientific Reports , vol. 5, 17937, 2015. DOI download
 
40
Goran Nilsen, Archana Raja, Alexander Tsirlin, Hannu Mutka, Deepa Kasinathan, Clemens Ritter and Henrik Ronnow One dimensional quantum magnetism in the anhydrous alum KTi(SO4)2, New Journal of Physics, vol. 11, 113035, 2015. DOI download Supplement
 
39
K. M. Ranjith, R. Nath, M. Skoulatos, L. Keller, Deepa Kasinathan, Y. Skourski, A. A. Tsirlin Collinear order in the frustrated three-dimensional spin-1/2 antiferromagnet Li2CuW2O8 , Phys. Rev. B, vol. 92, 094426, 2015. DOI download
 
38
Deepa Kasinathan, K. Koepernik, L. H. Tjeng, M. W. Haverkort SmO thin films: A flexible route to correlated flat bands with nontrivial topology, Phys. Rev. B, vol. 91, 195127, 2015. DOI download
 
37
J. Weinen, T. C. Koethe, C. F. Chang, S. Agrestini, Deepa Kasinathan, Y. F. Liao, H. Fujiwara, C. Schüßler-Langeheine, F. Strigari, T. Haupricht, G. Panaccione, F. Offi, G. Monaco, S. Huotari, K. -D. Tsuei, L. H. Tjeng Polarization dependent hard X-ray photoemission experiments for solids: Efficiency and limits for unraveling the orbital character of the valence band, J. Electron Spectrosc. Relat. Phenom., vol. 198, 6, 2015. DOI download
 
36
M. Wagner-Reetz, Deepa Kasinathan, W. Schnelle, R. Cardoso-Gil, H. Rosner, Y. Grin, P. Gille Phonon-drag effect in FeGa3, Phys. Rev. B, vol. 90, 195206, 2014. DOI download
 
35
Deepa Kasinathan, K. Koepernik, O. Janson, G. J. Nilsen, J. O. Piatek, H. M. Ronnow, H. Rosner Electronic structure of KTi(SO4)2.H2O - a S=1/2 frustrated chain antiferromagnet, Phys. Rev. B, vol. 88, 224410, 2013. DOI download
 
34
Sergey V. Ovsyannikov, Yury G. Zainulin, Nadezda I. Kadyrova, Alexander P. Tyutyunnik, Anna S. Semenova, Deepa Kasinathan, Alexander A. Tsirlin, Nobuyoshi Miyajima, Alexander E. Karkin A new antiferromagnetic perovskite CaCo3V4O12 prepared at high-pressure high-temperature conditions, Inorganic Chemistry, vol. 52, 11703, 2013. DOI download
 
33
Huiyang Gou, Natalia Dubrovinsaia, Elena Bykova, Alexander A. Tsirlin, Deepa Kasinathan, Walter Schnelle, Asta Richter, Marco Merlini, Michael Hanfland, Artem M. Abakumov, Dmitry Batuk, Gustaaf Van Tendeloo, Yoichi Nakajima, Aleksey N. Kolmogorov, Leonid Dubrovinsky Discovery of a Superhard Iron Tetraboride Superconductor, Phys. Rev. Lett, vol. 111, 157002, 2013. Chosen for Physics Viewpoint. DOI download
 
32
Matt Beekman, Sabrina Disch, Sergei Rouvimov, Deepa Kasinathan, Klaus Koepernik, Helge Rosner, Paul Zschack, Wolfgang S. Neumann, David C. Johnson Controlling size-induced phase transformations using chemically designed nanolaminates, Angewandte Chemie, vol. 52, 13211, 2013. DOI download Supporting information.
 
31
C. Koz, S. Röβler, A. A. Tsirlin, D. Kasinathan, C. Börrnert, M. Hanfland, H. Rosner, S. Wirth, and U. Schwarz Pressure-induced successive structural transitions and high-pressure tetragonal phase of Fe1.08Te, Phys. Rev. B, vol. 86, 094505, 2012. DOI download
 
30
Deepa Kasinathan, Maik Wagner, Klaus Koepernik, Raul Cardoso-Gil, Yu Grin, and Helge Rosner Electronic and thermoelectric properties of RuIn3-xAx ( A = Sn, Zn), Phys. Rev. B, vol. 85, 035207, 2012. DOI download
 
29
Deepa Kasinathan, Miriam Schmitt, Klaus Koepernik, Alim Ormeci, Katrin Meier, Ulrich Schwarz, Michael Hanfland, Christoph Geibel, Yuri Grin, Andreas Leithe-Jasper, and Helge Rosner Symmetry-preserving lattice collapse in tetragonal SrFe2-xRuxAs2 (x = 0,0.2): A combined experimental and theoretical study, Phys. Rev. B, vol. 84, 054509, 2011. DOI download
 
28
H. S. Jeevan, Deepa Kasinathan, Helge Rosner and Philipp Gegenwart Interplay of ferromagnetism, antiferromagnetism and superconductivity in EuFe2(As1-xPx)2 single crystals, Phys. Rev. B, vol. 83, 054511, 2011. DOI download
 
27
Alexander A. Tsirlin, Ioannis Rousochatzakis, Deepa Kasinathan, Oleg Janson, Ramesh Nath, Franziska Weickert, Christoph Geibel, Andreas M. Läuchli, and Helge Rosner Bridging frustrated-spin-chain and spin-ladder physics: Quasi-one-dimensional magnetism of BiCu2PO6, Phys. Rev. B, vol. 82, 144426, 2010. DOI download
 
26
S. Hoffmann, D. Kasinathan, and T. F. Faessler Single Crystals of Rb4C60: Synthesis and Structure Determination, Inorg. Chem., vol. 49, 2577, 2010. DOI download
 
25
W. Schnelle, A. Leithe-Jasper, R. Gumeniuk, U. Brukhardt, D. Kasinathan, and H. Rosner Substitution-induced superconductivity in the series SrFe2-xRuxAs2 (0 ≤ x ≤ 2) , Phys. Rev. B, vol. 79, 214516, 2009. DOI download
 
24
C. F. Miclea, M. Nicklas, H.S. Jeevan, D. Kasinathan, Z. Hossain, H. Rosner, P. Gegenwart, C. Geibel, F. Steglich Evidence for a reentrant superconducting state in EuFe2As2 under pressure, Phys. Rev. B, vol. 79, 212509, 2009. DOI download
 
23
H. Rosner, M. Schmitt, D. Kasinathan, A. Ormeci, J. Richter, S. -L. Drechsler, and M. D. Johannes Comment on "Electronic structure of spin-1/2 Heisenberg antiferromagnetic systems: Ba2Cu(PO4)2 and Sr2Cu(PO4)2", Phys. Rev. B, vol. 79, 127101, 2009. DOI download
 
22
D. Kasinathan, A. Ormeci, K. Koch, U. Burkhardt, W. Schnelle, A. Leithe-Jasper, and H. Rosner AFe2As2 (A = Ca, Sr, Ba, Eu) and SrFe2-xTMxAs2 (TM = Mn, Co, Ni): crystal structure, charge doping, magnetism and superconductivity, New J. Phys., vol. 11, 025023, 2009. DOI download
 
21
A. Jesche, N. Caroca-Canales, H. Rosner, H. Borrmann, A. Ormeci, D. Kasinathan, H. H. Klauss, H. Luetkens, R. Khasanov, A. Amato, A. Hoser, K. Kaneko, C. Krellner, and C. Geibel Strong coupling between magnetic and structural order parameters in SrFe2As2, Phys. Rev. B, vol. 78, 180504, 2008. DOI download
 
20
M. Kumar, M. Nicklas, A. Jesche, N. Caroca-Canales, M. Schmitt, M. Hanfland, D. Kasinathan, U. Schwarz, H. Rosner, and C. Geibel Effect of pressure on the magnetostructural transition in SrFe2As2, Phys. Rev. B, vol. 78, 184516, 2008. DOI download
 
19
H. S. Jeevan, Z. Hossain, D. Kasinathan, H. Rosner, C. Geibel, and P. Gegenwart High-temperature superconductivity in Eu0.5K0.5Fe2As2, Phys. Rev. B, vol. 78, 092406, 2008. DOI download
 
18
H. S. Jeevan, Z. Hossain, D. Kasinathan, H. Rosner, C. Geibel, and P. Gegenwart Electrical resistivity and specific heat of single-crystalline EuFe2As2: A magnetic homologue of SrFe2As2, Phys. Rev. B, vol. 78, 052502, 2008. DOI download
 
17
D. Kasinathan, K. Koepernik,and H. Rosner Quasi-one-dimensional magnetism driven by unusual orbital ordering in CuSb2O6, Phys. Rev. Lett., vol. 100, 237202, 2008. DOI download
 
16
R. Nath, D. Kasinathan, H. Rosner, M. Baenitz, and C. Geibel Electronic and magnetic properties of K2CuP2O7: A model S=1/2 Heisenberg chain system, Phys. Rev. B, vol. 77, 134451, 2008. DOI download
 
15
D. Kasinathan, K. Koepernik, U. Nitzsche, H. Rosner Ferromagnetism induced by orbital order in the charge-transfer insulator Cs2AgF4: An electronic structure study, Phys. Rev. Lett., vol. 99, 247210, 2007. DOI download
 
14
D. Kasinathan, K. Koepernik, J. Kunes, H. Rosner and W. E. Pickett Origin of strong coupling in lithium under pressure, Physica C, vol. 460-62, 133, 2007. DOI download
 
13
D.J. Singh, and D. Kasinathan Thermoelectric properties of NaxCoO2 and prospects for other oxide thermoelectrics, J. Electronic Materials, vol. 36, 736, 2007. DOI download
 
12
D. Kasinathan, K. Koepernik, W. E. Pickett Pressure-driven magnetic moment collapse in the ground state of MnO, New Journal of Phys., vol. 9, 235, 2007. DOI download
 
11
D.J. Singh, G. B. Wilson-Short, D. Kasinathan, M. Suewattana, and M. Fornari Electronic structure and disorder in Na(x)CoO2 and SrRh2O4, Solid State Sciences, vol. 9, 604, 2007. DOI download  Sp. Iss. SI 1st International Symposium on Structure-Property Relationships in Solid State Materials Bordeaux, FRANCE, JUN 27-30, 2006 
 
10
R. C. Rai, J. Cao, S. Brown, J. L. Musfeldt, D. Kasinathan, D. J. Singh, G. Lawes, N. Rogado, R. J. Cava, and X. Wei Optical properties and magnetic-field-induced phase transitions in the ferroelectric state of Ni3V2O8: Experiments and first-principles calculations, Phys. Rev. B, vol. 74, 235101, 2006. DOI download
 
9
D. Kasinathan, and D. J. Singh Electronic structure of Cr-doped SrRuO3: Supercell calculations, Phys. Rev. B, vol. 74, 195106, 2006. DOI download
 
8
D. Kasinathan, J. Kunes, K. Koepernik, Cristian V. Diaconu, Richard L. Martin, Inout Prodan, Gustavo E. Scuseria, Nicola Spaldin, L. Petit, T. C. Schulthess, and W. E. Pickett Mott Transition of MnO under Pressure: Comparison of Correlated band Theories , Phys. Rev. B, vol. 74, 195110, 2006. DOI download
 
7
D. Kasinathan, J. Kunes, A. Lazicki, H. Rosner, C.-S. Yoo, R. T. Scalettar, and W. E. Pickett Superconductivity and lattice instability in compressed lithium from fermi surface hot spots, Phys. Rev. Lett., vol. 96, 047004, 2006. DOI download
 
6
B. R. Maddox, C.S. Yoo, D. Kasinathan, W. E. Pickett, and R. T. Scalettar High-pressure structure of half-metallic CrO2 , Phys. Rev. B, vol. 73, 144111, 2006. DOI download
 
5
D. Kasinathan, A. B. Kyker and D. J. Singh Origin of ferromagnetism in Cs2AgF4: The importance of Ag-F covalency, Phys. Rev. B, vol. 73, 214420, 2006. DOI download
 
4
D.J. Singh, and D. Kasinathan Destruction of the small fermi surfaces in NaxCoO2 by disorder, Phys. Rev. Lett., vol. 97, 016404, 2006. DOI download
 
3
D. Kasinathan, K. W. Lee, and W. E. Pickett On heavy carbon doping of MgB2, Physica C, vol. 424, 116, 2005. DOI download
 
2
A. V. Poogrebnyakov, J. M. Redwing, S. Raghavan, V. Vaithyanathan, D. G. Schlom, S. Y. Xu, Q. Li, D. A. Tenne, A. Soukiassian, X. X. Xi, M. D. Johannes, D. Kasinathan, W. E. Pickett, J. S. Wu, and J. C. H. Spence Enhancement of the superconducting transition temperature of MgB2 by a strain-induced bond-stretching mode softening, Phys. Rev. Lett., vol. 93, 147006, 2004. DOI download
 
1
J. Kunes, H. Rosner, D. Kasinathan, C. O. Rodriguez, and W. E. Pickett Theory of orbital moment collapse under pressure in FeI2, Phys. Rev. B, vol. 68, 115101, 2003. DOI download
 
Invited Talks

  1. Electronic properties of 5d systems: A DFT plus spectroscopic study
    Workshop "Spin-orbit effects in molecules and solids: diversity of properties and computational precision" and Tutorial "hands-on-FPLO"
    Max Planck Institute for Chemical Physics of Solids, Dresden, Germany
    Nov 13 - 17, 2017

  2. SmO thin films: a flexible route to correlated flat bands with nontrivial topology
    Institut für Festkörperphysik, Technische Universität Dresden, Germany
    Nov 18, 2014

  3. Relation of structure, magnetism, doping and pressure in AFe2-xTxAs2 (A = Ca, Sr, Ba, Eu and T = Co, Ru, Mn)
    Department of Physics, Royal Holloway University of London
    Oct 31, 2012

  4. Thermoelectric properties of bulk materials and 2D slabs from first principles calculations.
    The Sino-German Symposium on "Electronic structure calculations and their application in material science"
    State Key Laboratory of Electronic Thin Films and Integrated Devices
    Univ. Electronic Science and Technology of China, Chengdu 610054, P.R. China
    Nov 7 - 11, 2011

  5. Relation of structure, magnetism, doping and pressure in AFe2-xTxAs2 (A = Ca, Sr, Ba, Eu and T = Co, Ru, Mn)
    Advanced Center of Research in High Energy Materials (ACRHEM)
    University of Hyderabad, India
    Jan 1, 2011

  6. Relation of structure, magnetism, doping and pressure in AFe2-xTxAs2 (A = Ca, Sr, Ba, Eu and T = Co, Ru, Mn)
    Workshop on "Electronic Structure of Fe-based Superconductors"
    Link to workshop website
    Max-Planck-Institute for Solid State Research, Stuttgart
    May 10 - 12, 2010

  7. Relation of structure, magnetism, doping and pressure in AFe2-xTxAs2 (A = Ca, Sr, Ba, Eu and T = Co, Ru, Mn)
    Center for Computational Materials Science
    Institute of Physics of the Academy of Sciences of the Czech Republic, Prague
    April 29, 2010.

  8. Orbital Order is low dimensional spin-1/2 systems
    First Goettingen-India Physics Workshop on Frontiers in Concensed Matter and Complex systems
    University of Goettingen, Goettingen
    November 3-6 2009.

  9. Novel magnetism in Cs2AgF4 and CuSb2O6 via Orbital Ordering.
    Center for Computational Materials Science, Naval Research Laboratory, Washington D.C. U.S.A.
    October 4th 2007.

  10. Novel magnetism in Cs2AgF4 and CuSb2O6 via Orbital Ordering.
    Condensed matter physics and materials science dept., Brookhaven National Lab, Upton, New York. U.S.A.
    October 1st 2007.

  11. Novel magnetism in Cs2AgF4 and CuSb2O6 via Orbital Ordering.
    Crystallography Seminar, Department of Geo und umweltwissenschaften, Ludwig Maximilians University Munich, Germany.
    June 1st 2007.

  12. Origin of Strong Coupling in Lithium under pressure.
    M2S-HTSC-VIII Conference, Dresden, Germany.
    July 2006.

  13. Pressure driven Nonmagnetic to Ferromagnetic transition in CoN.
    Max Planck Institute for Chemical Physics of Solids, Dresden, Germany.
    November 2004.

  14. Pressure driven Nonmagnetic to Ferromagnetic transition in CoN.
    Dept. of Magnetism and Superconductivity, Institute of Physics, Prague, Czech Republic.
    October 2004.
Contributed Talks

  1. Electronic signature of the vacancy ordering in NbO (Nb3O3)
    Abstract
    German Physical Society, Spring Meeting, Berlin, Germany
    March 11 - 16, 2018

  2. Electronic signature of the vacancy ordering in NbO (Nb3O3)
    Abstract
    American Physical Society, March Meeting, Los Angeles, California, U.S.A.
    March 5 - 9, 2018

  3. SmO thin films: a flexible route to correlated flat bands with nontrivial topology
    Abstract
    German Physical Society, Spring Meeting, Berlin, Germany
    March 15 - 20, 2015

  4. SmO thin films: a flexible route to correlated flat bands with nontrivial topology
    Abstract
    American Physical Society, March Meeting, San Antonio, Texas, U.S.A.
    March 2 - 6, 2015

  5. Phonon-drag effect in FeGa3
    Abstract
    German Physical Society, Spring Meeting, Dresden, Germany
    March 30 - April 4, 2014

  6. Interplay of covalency and correlations in the edge shared spin 1/2 A3T2O4 chain compounds (A = Na, K; T = Cu, Ni)
    Abstract
    German Physical Society, Spring Meeting, Dresden, Germany
    March 30 - April 4, 2014

  7. Structural transitions under pressure: How accurate are DFT calculations?
    Workshop "Computational exploration of atomistic structures and interrelation with physical properties" and Tutorial "hands-on-FPLO" Link
    IFW Dresden, Germany
    November 4 - 8, 2013

  8. A joint DFT and experimental study of the competing phases of Calcium at high-pressures and low-temperatures
    Abstract
    German Physical Society, Spring Meeting, Regensburg, Germany
    March 10 - 15, 2013

  9. Electronic and Thermoelectric properties of RuIn3-xAx (A=Sn, Zn) from first principles Abstract
    German Physical Society, Spring Meeting, Berlin, Germany
    March 25 - 30, 2012

  10. Electronic and Thermoelectric properties of RuIn3-xAx (A=Sn, Zn) from first principles Abstract
    American Physical Society, March Meeting, Boston, USA
    Feb 27 - Mar 2, 2012

  11. Electronic and Thermoelectric properties of RuIn3-xAx (A=Sn, Zn) from first principles Program
    9th European Conference on Thermoelectrics, Thessaloniki, Greece
    September 38-30 2011

  12. Thermoelectric properties of low-dimesional clathrates from first principles Abstract
    APS March Meeting, Dalls, Texas, U.S.A.
    March 21-25 2011
    Co-author of:
    Tetragonal lattice collapse in SrFe2As2-a combined experimental and theoretical studyAbstract
    and
    Superconductivity and magnetism in EuFe2(As1-xPx)2 single crystals Abstract

  13. Thermoelectric properties of low-dimesional clathrates from first principles Abstract
    DPG Spring Meeting, Dresden, Germany
    March 11-15 2011
    Co-author of:
    Tetragonal lattice collapse in SrFe2As2-a combined experimental and theoretical studyAbstract
    and
    Interplay of antiferromagnetism, ferromagnetism and superconductivity in EuFe2(As1-xPx)2 single crystals Abstract

  14. Nanostructuring of Clathrates and thermoelectric properties
    Statustreffen: DFG-Schwerpunktprogramm "Nanostrukturierte Thermoelektrika: Theorie, Modellsysteme und kontrollierte Synthese" (SPP 1386)
    Deutsche Physikalische Gesellschaft e.V., Magnus-Haus, Berlin
    October 4-5 2010

  15. Ground state description of BiCu2PO6
    DPG Spring Meeting, Regensburg, Germany Abstract
    March 22-26, 2010

  16. Ground state description of BiCu2PO6
    APS March Meeting, Portland, U.S.A. Abstract
    March 15-19, 2010

  17. Frustrated chain magnetism from the interplay of water induced crystal field splitting and correlation in KTi(SO4)2.H2O
    DFT meets Solid State Chemistry & 8th Tutorial Hands-on-FPLO
    Leibniz Institute for Solid State and Materials Research Dresden
    October 25-29, 2009

  18. Electronic structure and exchange coupling of a frustrated S=1/2 pyrochlore Hg2Cu2F6S
    DPG-Dresden, Germany
    March 2009

  19. Orbital Order in low dimensional spin 1/2 systems.
    Workshop DFT meets Experiment & 7th Tutorial Hands-on-FPLO
    IFW Dresden, Germany
    August 25-28, 2008

  20. Orbital Ordering in Spin 1/2 Systems.
    16th International Conference on Solid Compounds of Transition Elements
    Dresden, Germany
    July 26-31, 2008

  21. KTi(SO4)2.H2O - a possible candidate for a new spin-Peierls system.
    DPG-Berlin, Germany & APS-New Orleans, U.S.A.
    February & March 2008

  22. Orbital Ordering in Cs2AgF4 - an electronic structure study.
    Dept. of Physics, Indian Institute of Technology - Bombay, India
    January 2008

  23. Orbital Ordering in Cs2AgF4 - an electronic structure study.
    DPG-Regensburg, Germany & APS-Denver, U.S.A.
    March 2007

  24. Quasi one-dimensional magnetism driven by unusual orbital ordering in CuSb2O6.
    APS-Denver, U.S.A.
    March 2007

  25. LDA+U Picture of the Moment and Volume Collapse under pressure in MnO.
    DPG-Dresden, Germany
    March 2006.

  26. Superconductivity and Lattice Instability in Compressed Lithium from Fermi Surface Hot Spots.
    APS-Baltimore, U.S.A.
    March 2006.

  27. Superconductivity and Lattice Instability in Compressed Lithium from Fermi Surface Hot Spots.
    Oak Ridge Nationa Lab, Tennessee, U.S.A.
    February 2006.

  28. Moment Collapse of MnO under pressure.
    ESESRF/PCSCS - CMSN coordination meeting, Chicago, U.S.A.
    October 15-16 2005.

  29. Moment and Volume Collapse under Pressure in MnO: Theory vs Experiment
    MMM (Magnetism and Magnetic Materials) San Jose, U.S.A.
    October 2005.

  30. High Pressure Transitions in 4f Metals and in Mott Insulating MnO. (With B. Maddox)
    SSAAP Symposium, Las Vegas, U.S.A.
    August 2005.

  31. CoN - an example for open structures in FPLO.
    FPLO workshop, IFW-Dresden, Germany
    March/April 2005.

  32. Supercell and Virtual crystal approximation : On Heavy Carbon Doping of MgB2.
    Workshop for High-Field Intermetallic Superconductors, A satellite meeting at APS-Los Angeles, U.S.A.
    March 2005.

  33. LDA+U Picture of the Moment Collapse under Pressure in MnO.
    APS-Los Angeles, U.S.A.
    March 2005.

  34. Paramagnetic-to-Ferromagnetic Transition in Con Under Pressure.
    APS-Montreal, Canada
    March 2004.

  35. Effect of Heavy Carbon Doping of MgB2.
    APS-Austin, U.S.A.
    March 2003.
Posters

  1. SmO thin films: A flexible route to correlated flat bands with nontrivial topology
    Second International Workshop on: "Dynamical Mean-Field Approach for Strongly Correlated Materials"
    Max Planck Institute for Chemical Physics of Solids, Dresden
    Sept 29 - Oct 2, 2015

  2. SmO thin films: A flexible route to correlated flat bands with nontrivial topology
    Strongly Correlated Topological Insulators: SmB6 and Beyond
    University of Michigan, Ann Arbor
    May 31 - June 5, 2015

  3. Thermoelectric properties of low dimensional clathrate Ba8Ga16Ge30 from first principles
    529th Wilhelm and Else Heraeus Seminar on "Thermal transport at the Nanoscale"
    Physikzentrum Bad Honnef, Germany
    April 7 - 10, 2013

  4. Frustrated chain magnetism from interplay of water induced crystal field splitting and correlation in KTi(SO4)2.H2O
    Quantum Criticality and Novel Phases 2012
    Dreikoenigskirche, Dresden, Germany
    August 26 - 29, 2012

  5. Interplay of structure, magnetism and superconductivity in iron pnictides
    Korrelations Tage 2011
    Max Planck Institute for Physics of Complex systems, Dresden, Germany
    February 28 - March 4 2011

  6. Optical properties of the AFe2As2 (A=Ca,Sr,Eu,Ba) systems from DFT calculations
    Ψk - Conference 2010
    http://www.fhi-berlin.mpg.de/th/Meetings/psik_2010/
    September 12 - 16, 2010

  7. Ground state description of BiCu2O6
    Perspectives in Highly Frustrated Magnetism
    http://www.mpipks-dresden.mpg.de/~phfm10/
    Max Plank Institute for the Physics of Complex Systems, Dresden, Germany
    April 19 - 23, 2010

  8. Electronic properties of the clathrate Ba8Ga16Ge30 using bandstructure calculations
    451st Wilhelm and Else Heraeus Seminar "Nanostructured Thermoelectric Materials"
    http://www.fz-juelich.de/iff/nano-te/
    Physikzentrum Bad Honnef, Germany
    21 - 24 February 2010

  9. Electronic properties of the clathrate Ba8Ga16Ge30 using bandstructure calculations
    Thermoelectric Winter School (organised by the German Priority Program SPP 1386 and the DTG)
    http://www.physnet.uni-hamburg.de/SPP1386/
    Bremen, Germany
    February 14 - 19, 2010

  10. Frustrated chain magnetism from interplay of water induced crystal field splitting and correlation in KTi(SO4)2.H2O ECSSC XII - XIIth European conference on Solid State Chemistry
    Muenster, Germany
    20 - 23 September 2009

  11. Competing interactions in low-dimensional spin 1/2 systems
    KKR and Spectroscopy -- Hands-on Course
    Dept. of Chemistry and Biochemistry, Ludwig Maximilians University Munich, Germany.
    24 - 26 June 2009

  12. Relation of crystal structure, magnetism and charge doping in AFe2As2 (A = Sr, Ba, Eu, Ca) - A computational study
    International Workshop "Physics and Chemistry of FeAs-based Superconductors
    Leibniz Institute for Solid State and Materials Research, Dresden, Germany
    27 - 29 October 2008.

  13. Quasi one-dimensional magnetism driven by unusual orbital ordering in CuSb2O6.
    6th Workshop on Orbital Physics and Novel Phenomena in Transition Metal Oxides
    Max-Planck-Institut fr Festkrperforschung, Stuttgart, Germany
    10th and 11th of October, 2007.
    download

  14. Pressure driven nonmagnetic to ferromagnetic transition in CoN.
    SSAAP Symposium, UNLV-Las Vegas, U.S.A.
    August 2005.

  15. MnO Moment Collapse: LDA+U Study.
    CMSN coordination meeting, OakRidge, Tennessee, U.S.A.
    October 2004.

  16. Electronic Structure Analysis of FeI2.
    ES2002-Berkeley, U.S.A. Annual Workshop on recent developments in Electronic structure methods
    June 2002

  17. Electronic Structure of half-Heusler Compounds: Narrow-gap thermoelectric materials. (with B. R. K. Nanda and I. Dasgupta)
    DAE Symposium on Solid State Physics, Bhabha Atomic research Center (BARC), Mumbai, India
    November 2001
    download
Other Workshops/Schools/Meetings

  1. Quantum Materials Symposium: Grand Challenges and Opportunities of Quantum Materials - Design, Synthesis, Properties and Applications
    Harnack-Haus of the Max Planck Society in Berlin, Germany
    October 4-6, 2017

  2. Third International Workshop on: "Dynamical Mean-Field Approach for Strongly Correlated Materials"
    Max Planck Institute for Chemical Physics of Solids, Dresden
    Sept 19 - Sept 22, 2017

  3. Final Meeting of the DFG Priority Program 1386 "Nanostructured Thermoelectric Materials: Theory, Model Systems and Controlled Synthesis."
    Scientific Program
    Juelich, Germany
    June 20 - 22, 2016

  4. Workshop on Engineering Quatum Matter: From Understanding to Control
    University of St. Andrews, Scotland, UK
    June 8 - 10, 2016

  5. Second International Workshop on: "Dynamical Mean-Field Approach for Strongly Correlated Materials"
    Max Planck Institute for Chemical Physics of Solids, Dresden
    Sept 29 - Oct 2, 2015

  6. The Status and Networking Meeting of Priority Program "Topological Insulators: Materials - Fundamental Properties - Devices" (SPP 1666)
    Bad Sooden-Allendorf
    Sept 14 - 16, 2015

  7. Second Annual Summer School: Simons Collaboration on the Many Electron Problem
    Simons Center for Geometry and Physics, Stony Brook University, New York
    June 8 - 12, 2015

  8. Strongly Correlated Topological Insulators: SmB6 and Beyond
    University of Michigan, Ann Arbor
    May 31 - June 5, 2015
    Shared a talk with Prof. L. H. Tjeng. Video

  9. FOR 1346 (Dynamical Mean-Field Approach with Predictive Power for Strongly Correlated Materials): Klausurtagung (Internal Meeting) 2015
    Wuerzburg, Germany
    Feb 11 - 13, 2015

  10. Autumn School on Correlated Electrons: DMFT at 25: Infinite Dimensions Link
    Forschungszentrum Jülich, 15-19 September, 2014

  11. Workshop "Computational exploration of atomistic structures and interrelation with physical properties" and Tutorial "hands-on-FPLO"
    Report on the Psi-k Network website
    IFW Dresden, Germany, November 4 - 8, 2013

  12. Third Statustreffen: DFG-Schwerpunktprogramm "Nanostrukturierte Thermoelektrika: Theorie, Modellsysteme und kontrollierte Synthese" (SPP 1386)
    Diez an der Lahn, Germany, February 20-22 2013

  13. Max-Planck-POSTECH Center Workshop on Complex Phase Materials
    MPI CPfS, Dresden, December 17-18 2012

  14. Second Statustreffen: DFG-Schwerpunktprogramm "Nanostrukturierte Thermoelektrika: Theorie, Modellsysteme und kontrollierte Synthese" (SPP 1386)
    LEUCOREA - Stiftung, Lutherstadt Wittenberg, July 4-7 2011

  15. Frühjahrsschule Thermoelektrik 2011
    Organized by DLR, DTG and DFG-SPP-1386
    Köln, March 28 - April 1 2011

  16. First Statustreffen: DFG-Schwerpunktprogramm "Nanostrukturierte Thermoelektrika: Theorie, Modellsysteme und kontrollierte Synthese" (SPP 1386)
    Deutsche Physikalische Gesellschaft e.V., Magnus-Haus, Berlin
    October 4-5 2010
    Link to project website

  17. Spring College on Computaional Nanoscience
    Psi-k Network, CECAM and DEMOCRITOS CNR-IOM
    The Abdus Salam International center for Theoretical Physics (ICTP), Trieste, Italy
    17-28 May 2010
    Link to workshop website

  18. Workshop of ab-initio calculations in Geosciences
    Institute of Nuclear Physics of Polish Academy of Sciences, Cracow, Poland
    23-25 October 2008
    Link to workshop website

  19. Maximally Localized Wannier Functions: Concepts, Applications, and Beyond
    CECAM/Psi-k workshop, Lyon, France
    27-29 June 2007
    Link to workshop website