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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/13764
Title: Electronic properties of graphite
Authors: Solanki A.K.
Kashyap A.
Nautiyal, Tashi
Auluck S.
Khan M.A.
Published in: Materials Science Forum
Abstract: We report results of self-consistent scalar relativistic band structure calculations for hexagonal graphite. Calculations are done using the linear muffin-tin orbital method within the atomic sphere approximation (LMTO-ASA). The effect of introducing empty spheres as well as the effect of including different angular momentum expansions for the wave functions is studied. Reasonable overall agreement is obtained with the experimental data. Our calculations are compared with a previous LMTO-ASA calculations done without the correction terms and a recent state of the art full potential LMTO calculations. Results for compressed graphite are also discussed.
Citation: Materials Science Forum (1996), 223-224(): 133-140
URI: http://repository.iitr.ac.in/handle/123456789/13764
Issue Date: 1996
Keywords: Band Structure
Graphite
Muffin-Tin Orbital
ISSN: 2555476
Author Scopus IDs: 6701604746
35187189600
6602903861
7004548111
57212121488
Author Affiliations: Solanki, A.K., Department of Physics, University of Roorkee, Roorkee 247 667, India
Kashyap, A., Department of Physics, University of Roorkee, Roorkee 247 667, India
Nautiyal, T., Department of Physics, University of Roorkee, Roorkee 247 667, India
Auluck, S., Department of Physics, University of Roorkee, Roorkee 247 667, India
Khan, M.A., Inst. Phys. Chim. Mat. Strassbourg, Université Louis Pasteur, 23 Rue du Loess, F-67037 Strassbourg, France
Corresponding Author: Solanki, A.K.; Department of Physics, University of Roorkee, Roorkee 247 667, India
Appears in Collections:Journal Publications [PH]

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