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Hem Chandra Kandpal
Hem C. Kandpal Assistant Professor hem12fcy[at]iitr.ac.in +91 1332 284764
Areas of Interest
  • Computational Material Science & Solid State and Material Chemistry, Smart Multifunctional Materials
Professional Background
FromToDesignationOrganisation
20092012Guest ScientistIFW Dresden, Germany
20072009Research AssociateInstitute for Theoretical Physics, Frankfurt University Frankfurt Germany
Jan 2007March 2007Visiting ScientistRutgers, The State University of New Jersey, USA
Educational Details
DegreeSubjectUniversityYear
Ph. D.Materials ScienceUniversity of Mainz, Germany2007
Participation in seminars
NamePlaceSponsored ByDate
Novel Thermoelectric MaterialsQIP, IIT RoorkeeQIP, IIT Roorkee05.03.2016
Teaching Engagements
TitleCourse CodeClass NameSemester
Functional Materials: Structure, properties and synthesisICY-04BTechAutumn
Physical ChemistryCY-001BTech (2014)Autumn
Thermodynamics and Surface ChemistryCY-521MSc & Int MSc (2014)Autumn
Analysis of Industrial PolymersCY-772MTech (2014)Autumn
Fundamentals of Polymer SciencesICY-01BTech (2014)Spring
General Chemistry-IIICY-008BTech (2014)Spring
Kinteics and PhotochemistryCY-522MSc (2014)Spring
Physical ChemistryCY-001BTech (2013)Autumn
Thermodynamics and Surface ChemistryCY-521MSc & Int MSc (2013)Autumn
Chemistry Common CourseCY-101BTech (2013)Spring
Kinetics and PhotochemistryCY-522MSc & Int MSc (2013)Spring
Projects and Thesis Supervised
Title of ProjectNames of Students
First principles study of magnetic nanostructures for applications in high density storage devices Harish K. Singh (presently at Technische Universität Darmstadt, Germany)
Ab-inito design of thermoelectric materialsUday Chopra (Presently at Johannes Gutenberg Universität Mainz,Germany)
Single molecule magnetsVipul Chaturvedi (Presently at CEMS, University of Minnesota, USA)
Research Scholar Groups
Scholar NameInterest
Mohd ZeeshanComputational Materials Science
Sapna SinghComputational Materials Science
Haseeb AhmedMaterials Science
Jyoti KashyapMaterials Science
RakshandaComputational Materials Science
Dr. Prayas C. Patel (N-PDF)Materials Synthesis
Utkarsh Singh (BTech student, Chemical Engineering)Materials design
Shambhawi (BTech student, Chemical Engineering)Materials design
PHDs Supervised
TopicScholar NameStatus of PHDRegistration Year
Thermoelectric materialsMohd ZeeshanO2013
Materials scienceHaseeb AhmedO2014
Computational materials scienceSapna SinghO2014
Materials ScienceJyoti KashyapO2017
Materials ScienceRakshandaO2017
Visits to outside institutions
Institute VisitedPurpose of VisitDate
JNCASR and IISC, Bangaloreto establish or strengthen research collaborations27.06.2013
Leibniz Institute for Solid State and Materials Research Dresden - IFW Dresden, GermanyIn research collaboration.2015
Leibniz Institute for Solid State and Materials Research Dresden - IFW Dresden, GermanyIn research collaboration.2016
Courses or Conferences Organised
Conference NameSponsored ByDate
Workshop on Novel Thermoelectric MaterialsQIP, IIT Roorkee05.03.2016
Special Lectures Delivered
TitlePlaceDate
Materials design from first principles calculationsQIP, IIT Roorkee, Roorkee08.03.2014
National International Collaboration
TopicOrganisationLevel
Prof. Jeroen van den BrinkLeibniz Institute for Solid State and Materials Research Dresden - IFW Dresden, GermanyRP
Refereed Journal Papers

Publications:

1. Hole-doped cobalt-based Heusler phases as prospective high-performance high-temperature thermoelectrics
Mohd Zeeshan, Jeroen van den Brink, and Hem C. Kandpal                                                                                                arXiv:1709.04243, (accepted in Physical Review Materials, 2017), https://arxiv.org/abs/1709.04243

2. Ab-initio design of new Heusler materials for thermoelectric applications
Mohd Zeeshan, Harish K. Singh, Jeroen van den Brink, and Hem C. Kandpal                                                           arXiv:1708.04768 (accepted in Physical Review Materials, 2017),
https://arxiv.org/abs/1708.04768

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://journals.aps.org/prl/abstract/10.1103/PhysRevLett.117.126403 3

 

Selected Publications:                                                                                                                                                 

1. 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

 

2. 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

 

3. 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)

 

4. 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

 

5. Effect of external pressure on the Fe magnetic moment in undoped LaFeAsO from density functional theory: Proximity to a magnetic instability
I. Opahle, H. C. Kandpal, Y. Zhang, C. Gros, and R. Valentí
Phys. Rev. B 79, 2009, 024509, doi:10.1103/PhysRevB.79.024509

 

6. 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

 

7. 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

 

8. 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

 

9. Properties of the quaternary half-metal-type Heusler alloy Co2Mn1−xFexSi
Benjamin Balke, Gerhard H. Fecher, Hem C. Kandpal, Claudia Felser, Keisuke Kobayashi, Eiji Ikenaga, Jung-Jin Kim, and Shigenori Ueda
Phys. Rev. B 74, 2006, 104405, doi:10.1103/PhysRevB.74.104405

 

10. First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb
U. V. Waghmare, N. A. Spaldin, H. C. Kandpal, and Ram Seshadri
Phys. Rev. B 67, 2003, 125111, doi:10.1103/PhysRevB.67.125111