Ruoff, Arthur L. ; Li, Ting ; Ho, Allen C. ; Pai, Min-Fan ; Luo, Huan ; Greene, Ray G. ; Narayana, Chandrabhas ; Molstad, Jay C. ; Trail, Steven S. ; DiSalvo, Francis J. Jr. ; van Camp, P. E. (1998) Sevenfold coordinated MgSe: experimental internal atom position determination to 146 GPa, diffraction studies to 202 GPa and theoretical studies to 500 GPa Physical Review Letters, 81 (13). pp. 2723-2726. ISSN 0031-9007
Full text not available from this repository.
Official URL: https://journals.aps.org/prl/abstract/10.1103/Phys...
Related URL: http://dx.doi.org/10.1103/PhysRevLett.81.2723
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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Physical Society. |
| ID Code: | 113579 |
| Deposited On: | 30 Apr 2018 11:49 |
| Last Modified: | 30 Apr 2018 11:49 |
Repository Staff Only: item control page
