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Title: Density functional and theoretical study of the temperature and pressure dependency of the plasmon energy of solids

The temperature and pressure dependency of the volume plasmon energy of solids was investigated by density functional theory calculations. The volume change of crystal is the major factor responsible for the variation of valence electron density and plasmon energy in the free electron model. Hence, to introduce the effect of temperature and pressure for the density functional theory calculations of plasmon energy, the temperature and pressure dependency of lattice parameter was used. Also, by combination of the free electron model and the equation of state based on the pseudo-spinodal approach, the temperature and pressure dependency of the plasmon energy was modeled. The suggested model is in good agreement with the results of density functional theory calculations and available experimental data for elements with the free electron behavior.
Authors:
;  [1]
  1. Department of Materials Engineering, McGill University, Montreal, Quebec H3A 0C5 (Canada)
Publication Date:
OSTI Identifier:
22308137
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 16; Other Information: (c) 2014 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; CRYSTALS; DENSITY FUNCTIONAL METHOD; ELECTRONS; EQUATIONS OF STATE; LATTICE PARAMETERS; PLASMONS; PRESSURE DEPENDENCE; SIMULATION; SOLIDS; TEMPERATURE DEPENDENCE; VALENCE