Open AccessSELF-CONSISTENT BAND STRUCTURE, ELECTRONIC PRESSURE AND SUPERCONDUCTIVITY IN HCP-WC AND MON
Author(s) -
Yuemao Shen,
Huang Mei-Chun
Publication year - 1988
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.37.2028
Subject(s) - superconductivity , electronic structure , materials science , electronic band structure , condensed matter physics , ab initio , density functional theory , coupling constant , ground state , electron , atomic physics , physics , quantum mechanics
The self-consistent band structure, total and partial density of states for the stable compounds hcp-WC and MoC are calculated by the LMTO-ASA method based on Kohn-Sham's LDF theory. On the basis of theoretical parameters obtained from our ab initio calculations, the total and partial electronic pressure, the electron-ion interaction constant η, electron- ph-onon coupling constant λ and superconducting transion temperature Tc are studied. The theoretical results have been verified by both the experimental photoemission spectra and ground-state properties, as well as the superconductivity data.