Kumar, Jagdish and Ahluwalia, P. K. and Awana, V. P. S. (2013) Electronic Band Structure of LaO1-xFxBiS2: A Recently Invented Family of Superconductors. Solid State Physics: Proceedings Of The 55th DAE Solid State Physics Symposium 2010, PTS A and B, 1512. pp. 1156-1157. ISSN 0094-243X

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Abstract

In this paper we present electronic band structure calculations of newly discovered BiS2 layer based LaO0.5F0.5BiS2 superconductor using density functional theory. The force minimization results of atomic positions are in agreement with experiments. From band structure analysis the parent compound LaOBiS2 is found to be an insulator for relaxed atomic positions whereas it exhibits metallic state for experimental coordinates. The substitution of F at O site is found to affect the electronic structure in non-rigid band scenario. The doped compound is found to be metallic having electrons as dominant charge carriers. The major contribution to states at Fermi level in LaFBiS2 comes from Bi-p and La-d orbitals.

Item Type:	Article
Additional Information:	copyright for this article belongs to M/s American Institute of Physic
Subjects:	Applied Physics/Condensed Matter
Divisions:	UNSPECIFIED
Depositing User:	Users 27 not found.
Date Deposited:	19 Aug 2026 10:12
Last Modified:	19 Aug 2026 10:12
URI:	https://npl.csircentral.net/id/eprint/3257

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