Publication
Title
Sevenfold coordinated MgSe : experimental internal atom position determination to 146 GPa, diffraction studies to 202 GPa, and theoretical studies to 500 GPa
Author
Abstract
MgSe has been studied using energy dispersive x-ray diffraction to 202 GPa and local density approximation and ultrasoft pseudopotentials to 500 GPa. MgSe undergoes a "continuous" phase transformation from the rocksalt to FeSi (B28) beginning at around 99 +/- 8 GPa and approaching sevenfold coordination at 202 GPa. Theoretical computation finds the B28 transition beginning at 58 GPa followed by a transition to an orthorhombic distortion of the B2 structure at 429 GPa. [S0031-9007(98)07261-5].
Language
English
Source (journal)
Physical review letters. - New York, N.Y.
Publication
New York, N.Y. : 1998
ISSN
0031-9007
Volume/pages
81:13(1998), p. 2723-2726
ISI
000076133300026
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 07.12.2017
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