A. Polytypism at its best: improved thermoelectric performance in Li based Nowotony-Juza phases Uday Chopra, Mohd Zeeshan, Shambhawi Pandey, Harish K. Singh, Jeroen van den Brink, Hem C. Kandpal
arXiv:1806.09505 https://lanl.arxiv.org.lanl.gov/abs/1806.09505
Selected Publications:
1. FeTaSb and FeMnTiSb as promising thermoelectric materials: An ab initio approach
Mohd Zeeshan, Tashi Nautiyal, Jeroen van den Brink, and Hem C. Kandpal Phys. Rev. Materials 2, 2018, 065407, https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.2.065407
2. Hole-doped cobalt-based Heusler phases as prospective high-performance high-temperature thermoelectrics
Mohd Zeeshan, Jeroen van den Brink, and Hem C. Kandpal
Phys. Rev. Materials 1, 2017, 074401, https://doi.org/10.1103/PhysRevMaterials.1.074401
2. Ab-initio design of new Heusler materials for thermoelectric applications Mohd Zeeshan, Harish K. Singh, Jeroen van den Brink, and Hem C. Kandpal, Phys. Rev. Materials 1, 2017, 075407, https://doi.org/10.1103/PhysRevMaterials.1.075407
3. Jeff description of the honeycomb Mott insulator alpha-RuCl3
A. Koitzsch, C. Habenicht, E. Mueller, M. Knupfer, B. Buechner, H. Kandpal, J. van den Brink, D. Nowak, A. Isaeva, and Th. Doert,
Phys. Rev. Lett. 117, 2016, 126403, https://doi.org/10.1103/PhysRevLett.117.126403
4. Strong magnetic anisotropy of chemically bound Co dimers in a graphene sheet
Hem C. Kandpal, Klaus Koepernik, and Manuel Richter
Phys. Rev. B 86, 2012, 235430, doi:10.1103/PhysRevB.86.235430
5. Multistep Approach to Microscopic Models for Frustrated Quantum Magnets: The Case of the Natural Mineral Azurite
Harald Jeschke, Ingo Opahle, Hem Kandpal, Roser Valentí, Hena Das, Tanusri Saha-Dasgupta, Oleg Janson, Helge Rosner, Andreas Bruehl, Bernd Wolf, Michael Lang, Johannes Richter, Shijie Hu, Xiaoqun Wang, Robert Peters, Thomas Pruschke, and Andreas Honecker
Phys. Rev. Lett. 106, 2011, 217201, doi:10.1103/PhysRevLett.106.217201
6. Calculation of magnetic exchange couplings in the S=3/2 honeycomb system (Bi3Mn4O12)NO3 from first principles
Hem C. Kandpal and Jeroen van den Brink
Phys. Rev. B 83, 2011, 140412, doi:10.1103/PhysRevB.83.140412, appeared in Kaleidescope in April 2011 (http://journals.aps.org/prb/kaleidoscope/April2011)
7. Revision of Model Parameters for κ-Type Charge Transfer Salts: An Ab Initio Study
Hem C. Kandpal, Ingo Opahle, Yu-Zhong Zhang, Harald O. Jeschke, and Roser Valentí
Phys. Rev. Lett. 103, 2009, 067004, doi:10.1103/PhysRevLett.103.067004
8. Electronic structure, magnetism and disorder in the Heusler compound Co2TiSn
Hem Chandra Kandpal, Vadim Ksenofontov, Marek Wojcik, Ram Seshadri and Claudia Felser
J. Phys. D: Appl. Phys. 40, 2007, 1587, doi:10.1088/0022-3727/40/6/S13
9. Covalent bonding and the nature of band gaps in some half-Heusler compounds
Hem C. Kandpal, C. Felser, and R. Seshadri
J. Phys. D. 39, 2006, 776-785, doi:10.1088/0022-3727/39/5/S02
10. Correlation in the transition-metal-based Heusler compounds Co2MnSi and Co2FeSi
Hem Chandra Kandpal, Gerhard H. Fecher, Claudia Felser, and Gerd Schönhense
Phys. Rev. B 73, 2006, 094422, doi:10.1103/PhysRevB.73.094422