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Title
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Sevenfold coordinated MgSe : experimental internal atom position determination to 146 GPa, diffraction studies to 202 GPa, and theoretical studies to 500 GPa
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Author
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Abstract
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| 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]. |
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Language
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English
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Source (journal)
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Physical review letters. - New York, N.Y., 1958, currens
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Publication
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New York, N.Y.
:
American Physical Society
,
1998
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ISSN
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0031-9007
[print]
1079-7114
[online]
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Volume/pages
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81
:13
(1998)
, p. 2723-2726
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ISI
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000076133300026
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Full text (Publisher's DOI)
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Full text (open access)
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