Electronic structure of CuCl
- 1 August 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 20 (3), 1189-1193
- https://doi.org/10.1103/physrevb.20.1189
Abstract
The electronic band structure of zinc-blende CuCl is computed using a self-consistent, first-principles, all-electron approach. The calculated energy levels agree with photoemission results and support a minimum-direct-gap interpretation of the optical data. Contrary to the indirect model proposed by Rusakov and used by Abrikosov to explain superdiamagnetism and/or high-temperature superconductivity, the calculated band-pressure coefficients do not yield an indirect gap at the pressure where anomalies appear.Keywords
This publication has 19 references indexed in Scilit:
- Structurally Induced Semimetal-to-Semiconductor Transition in-TiPhysical Review Letters, 1978
- Ground- and excited-state properties of LiF in the local-density formalismPhysical Review B, 1977
- Self-consistent numerical-basis-set linear-combination-of-atomic-orbitals investigation of the electronic structure and properties of TiPhysical Review B, 1977
- Ground-state electronic properties of diamond in the local-density formalismPhysical Review B, 1977
- Self-consistent numerical-basis-set linear-combination-of-atomic-orbitals model for the study of solids in the local density formalismPhysical Review B, 1977
- On the energy band structure and the phase transitions in a cuprous chloride crystalPhysica Status Solidi (b), 1975
- Density of valence states of CuCl, CuBr, CuI, and AgIPhysical Review B, 1974
- Energy bands of copper chloridePhysica Status Solidi (b), 1973
- Structure des bandes des halogenures de cuivre: CuCl, CuBr et CuIJournal of Physics and Chemistry of Solids, 1967
- Optical Properties of the Silver and Cuprous HalidesPhysical Review B, 1963