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Title: Structural, electronic and thermal properties of Mo{sub 3}Ir superconductors

Self consistent first principle calculations on superconducting material Mo{sub 3}Ir of A15 phase have been performed to understand their fundamental characteristics of the structural, electronic and thermal properties. The bulk modulus (B{sub 0}), Debye temperature (θ{sub D}), density of states (N (E{sub F})) and electronic specific heat coefficient (γ) have been computed in terms of the electronic structure results obtained by using the tight-binding linear muffin tin orbital (TB-LMTO) method based on the density functional theory (DFT) within the local density approximation (LDA). Structural, electronic and thermal properties calculated here are found to corroborate well with the experimental and theoretical results of literature.
Authors:
; ; ;  [1]
  1. Condensed Matter Lab, Department of Physics, Madras Institute of Technology Campus, Anna University, Chrompet, Chennai-600044, Tamilnadu (India)
Publication Date:
OSTI Identifier:
22490435
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal Issue: 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BETA-W STRUCTURES; DEBYE TEMPERATURE; DENSITY FUNCTIONAL METHOD; DENSITY OF STATES; ELECTRONIC SPECIFIC HEAT; ELECTRONIC STRUCTURE; INTERMETALLIC COMPOUNDS; IRIDIUM; MOLYBDENUM; MUFFIN-TIN POTENTIAL; SUPERCONDUCTORS; TENSILE PROPERTIES