High-pressure studies of MgTe using first-principle electronic-structure calculations
UNSPECIFIED. (1999) High-pressure studies of MgTe using first-principle electronic-structure calculations. PHYSICAL REVIEW B, 60 (17). pp. 11846-11847. ISSN 0163-1829Full text not available from this repository.
We study the ground-state properties of MgTe and the behavior under pressure using the first-principles tight-binding linear muffin-tin orbital method within the local density approximation (LDA). The calculations clearly indicate that there is a structural transition from the B8 to B2, confirming recent experimental suggestions. We have further observed that there is an indirect band overlap metallization just before the structural transition. [S0163-1829(99)04838-9].
|Item Type:||Journal Article|
|Subjects:||Q Science > QC Physics|
|Journal or Publication Title:||PHYSICAL REVIEW B|
|Publisher:||AMERICAN PHYSICAL SOC|
|Official Date:||1 November 1999|
|Number of Pages:||2|
|Page Range:||pp. 11846-11847|
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