Title
Sevenfold coordinated MgSe : experimental internal atom position determination to 146 GPa, diffraction studies to 202 GPa, and theoretical studies to 500 GPa Sevenfold coordinated MgSe : experimental internal atom position determination to 146 GPa, diffraction studies to 202 GPa, and theoretical studies to 500 GPa
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
New York, N.Y. ,
Subject
Physics
Source (journal)
Physical review letters. - New York, N.Y.
Volume/pages
81(1998) :13 , p. 2723-2726
ISSN
0031-9007
ISI
000076133300026
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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].
Full text (open access)
https://repository.uantwerpen.be/docman/irua/b8a9d4/4261.pdf
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