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Structural Stability of the Group‐VIb Elements under High Pressure
Author(s) -
Nishikawa A.,
Niizeki K.,
Shindo K.,
Ohno K.
Publication year - 1996
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.2221980162
Subject(s) - pseudopotential , trigonal crystal system , structural stability , formalism (music) , group (periodic table) , structure type , electronic band structure , materials science , condensed matter physics , physics , chemistry , crystallography , crystal structure , quantum mechanics , structural engineering , engineering , musical , art , visual arts
We have performed band structure calculations of a high‐pressure phase of the group‐VIb elements within the local density‐functional formalism and the norm‐conserving pseudopotential method to investigate the structural stability. This paper mainly deals with the β‐Po type rhombohedral phase of sulphur, and we discuss the effect of the rhombohedral distortion on the electronic structure.