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Title: Sevenfold Coordinated MgSe: Experimental Internal Atom Position Determination to 146 GPa, Diffraction Studies to 202 GPa, and Theoretical Studies to 500 GPa
Authors: Ruoff, A L
Ho, A C
Pai, M F
Luo, H
Greene, R G
Chandrabhas, Narayana
Molstad, J C
Trail, S S
DiSalvo, F J
van Camp, P E
Keywords: Physics, Multidisciplinary
Issue Date: 28-Sep-1998
Publisher: American Physical Society
Citation: Physical Review Letters 81(13), 2723-2726(1998)
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].
Other Identifiers: 0031-9007
Appears in Collections:Research Articles (Chandrabhas N.)

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