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The Structural and Electronic Properties of Sulfur under High Pressure
Author(s) -
Nishikawa A.,
Niizeki K.,
Shindo K.
Publication year - 1999
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/(sici)1521-3951(199901)211:1<373::aid-pssb373>3.0.co;2-s
Subject(s) - pseudopotential , trigonal crystal system , sulfur , structural stability , high pressure , formalism (music) , instability , materials science , chemical physics , chemistry , condensed matter physics , crystallography , thermodynamics , physics , crystal structure , mechanics , engineering , structural engineering , metallurgy , art , musical , visual arts
We have performed band structure calculations of high‐pressure phases of sulfur within the local density‐functional formalism and the norm‐conserving pseudopotential method to investigate the structural stability. This paper mainly deals with a β‐Po type rhombohedral phase of sulfur, and we discuss the instability of the rhombohedral structure and a new structural model with decreasing pressure.