Phys. Rev. Lett. 43, 1040–1042 (1979)Electronic States of Te above the High-Pressure Phase TransitionReceived 24 May 1979; published in the issue dated 1 October 1979 A self-consistent pseudopotential band-structure calculation for the recently determined high-pressure (above 38 kbar) monoclinic tellurium structure is presented. The density of states and charge densities for representative regions within the unit cell are calculated. Our results show that high-pressure monoclinic tellurium is metallic, and that a crystal bond-length asymmetry is caused by an electronically driven distortion. The results also predict a highly anisotropic conductivity. © 1979 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.43.1040
DOI:
10.1103/PhysRevLett.43.1040
PACS:
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