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Title: First principle calculations of structural phase transition and electronic properties in AmTe

The tight-binding linear muffin-tin orbital (TB-LMTO) with in the local density approximation is used to calculate total energy, lattice parameters, bulk modulus, density of states and energy band structure of americium telluride at ambient as well as at high pressure. It is found that AmTe is stable in NaCl – type structure under ambient pressure. The phase transition pressure was found to be 15.0 GPa from NaCl-type (B{sub 1}-phase) structure to CsCl-type (B{sub 2}-phase) structure for this compound. From energy band diagram it is observed that AmTe exhibit metallic behaviour. The calculated ground state properties such as lattice parameters and bulk modulus are in general good agreement with the available results.
Authors:
;  [1] ;  [2] ; ;  [3]
  1. Sagar Institute of Research & Technology, Bhopal, 462041 (India)
  2. Department of Physics, C.S.A. Govt. P.G. College, Sehore, 466001 (India)
  3. Department of Physics, Barkatullah University, Bhopal, 462026 (India)
Publication Date:
OSTI Identifier:
22490178
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; AMERICIUM TELLURIDES; CESIUM CHLORIDES; DENSITY OF STATES; ELECTRONIC STRUCTURE; GROUND STATES; LATTICE PARAMETERS; MUFFIN-TIN POTENTIAL; PHASE TRANSFORMATIONS; PRESSURE DEPENDENCE; SODIUM CHLORIDES; TENSILE PROPERTIES