First principles study on electronic structure and elastic properties of LaCd and LaHg

Journal Article · Thu Apr 24 00:00:00 EDT 2014 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4872850· OSTI ID:22269225

Devi, Hansa; Pagare, Gitanjali; Sanyal, Sankar P. ^[1]

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1. Department of Physics, Barkatullah University, Bhopal-462026 (India)

Full -potential linearized augmented plane wave method (FP- LAPW) has been used for the comparative study of electronic structure and elastic properties of CsCl-type LaCd and LaHg intermetallic compounds using generalized gradient approximation (GGA). The density of states at the Fermi Level, N (E{sub F}), is found to be 0.06 and 3.03 states/eV for LaCd and LaHg respectively. We report elastic constants for these compounds for the first time. The ductility/brittleness of these compounds has been analyzed using Pugh rule and Cauchy’s pressure.

• OSTI ID: 22269225
• Journal Information: AIP Conference Proceedings, Vol. 1591, Issue 1; Conference: 58. DAE solid state physics symposium 2013, Patiala, Punjab (India), 17-21 Dec 2013; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
36 MATERIALS SCIENCE
APPROXIMATIONS
BRITTLENESS
CESIUM CHLORIDES
DENSITY
DUCTILITY
ELASTICITY
ELECTRONIC STRUCTURE
FERMI LEVEL
INTERMETALLIC COMPOUNDS
WAVE PROPAGATION