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Electronic structure of tellurium under high pressure
Author(s) -
Nishikawa Atsushi,
Shindo Koichi
Publication year - 2003
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200301620
Subject(s) - tellurium , monoclinic crystal system , electronic band structure , band gap , formalism (music) , electronic structure , materials science , high pressure , structural stability , crystallography , condensed matter physics , crystal structure , chemistry , physics , thermodynamics , optoelectronics , structural engineering , engineering , metallurgy , art , musical , visual arts
We have performed band structure calculations of high‐pressure phases of tellurium within the local density‐functional formalism and the norm‐conserving pseudo‐potential method. We have calculated the band structure for the newly proposed model of Te‐III phase, and the result suggests that the monoclinic distortion lowers the band structure energy and contributes to the structural stability.