Rhombohedral phase stability of the group-VA elements

Journal Article · Thu May 15 00:00:00 EDT 1986 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.33.7371· OSTI ID:5758511

Chang, K J; Cohen, M L

The structural stability of the rhombohedral and simple cubic phases is studied for the group-VA elements. Using an ab initio pseudopotential total-energy method, the calculated phonon frequencies for the longitudinal acoustic mode at the corner of the simple-cubic Brillouin zone are found to soften. This suggests that all group-V elements are likely to form in the rhombohedral structure with respect to the simple cubic phase. At high pressures, the rhombohedral stability is diminished, causing a transition to the simple-cubic structure.

• Research Organization: Department of Physics, University of California, Berkeley, California 94720 and Materials and Molecular Research Division, Lawrence Berkeley Laboratory, Berkeley, California 94720
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 5758511
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Vol. 33:10
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ANTIMONY
CRYSTAL STRUCTURE
ARSENIC
NITROGEN
PHOSPHORUS
BRILLOUIN ZONES
CRYSTAL-PHASE TRANSFORMATIONS
CUBIC LATTICES
PHONONS
TRIGONAL LATTICES
CRYSTAL LATTICES
ELEMENTS
METALS
NONMETALS
PHASE TRANSFORMATIONS
QUASI PARTICLES
SEMIMETALS
ZONES
360602* - Other Materials- Structure & Phase Studies