Electronic structure of CuCl

A. J. Freeman, C. S. Wang, T. Jarlborg, M. Weinert, F. Wagner, C. W. Chu

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Self‐consistent energy band structure obtained by two different ab initio methods (LCAO and LMTO) shows that CuCl is a direct gap semiconductor. No indirect gap is found at ambient or high pressures as required by Rusakov's model and Abrikosov's speculations invoking Herring's “excitonium” state as the origin of superdiamagnetism or high‐temperature superconductivity in CuCl. Band gap predictions are compared with several existing experiments including new infrared absorption measurements we have performed and report here.

Original languageEnglish
Pages (from-to)445-451
Number of pages7
JournalInternational Journal of Quantum Chemistry
Volume16
Issue number13 S
DOIs
Publication statusPublished - 1979

Fingerprint

Band structure
Electronic structure
electronic structure
Infrared absorption
Superconductivity
Energy gap
Semiconductor materials
infrared absorption
energy bands
superconductivity
Experiments
predictions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

Freeman, A. J., Wang, C. S., Jarlborg, T., Weinert, M., Wagner, F., & Chu, C. W. (1979). Electronic structure of CuCl. International Journal of Quantum Chemistry, 16(13 S), 445-451. https://doi.org/10.1002/qua.560160844

Electronic structure of CuCl. / Freeman, A. J.; Wang, C. S.; Jarlborg, T.; Weinert, M.; Wagner, F.; Chu, C. W.

In: International Journal of Quantum Chemistry, Vol. 16, No. 13 S, 1979, p. 445-451.

Research output: Contribution to journalArticle

Freeman, AJ, Wang, CS, Jarlborg, T, Weinert, M, Wagner, F & Chu, CW 1979, 'Electronic structure of CuCl', International Journal of Quantum Chemistry, vol. 16, no. 13 S, pp. 445-451. https://doi.org/10.1002/qua.560160844
Freeman AJ, Wang CS, Jarlborg T, Weinert M, Wagner F, Chu CW. Electronic structure of CuCl. International Journal of Quantum Chemistry. 1979;16(13 S):445-451. https://doi.org/10.1002/qua.560160844
Freeman, A. J. ; Wang, C. S. ; Jarlborg, T. ; Weinert, M. ; Wagner, F. ; Chu, C. W. / Electronic structure of CuCl. In: International Journal of Quantum Chemistry. 1979 ; Vol. 16, No. 13 S. pp. 445-451.
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