New Interpretation of the Soft-X-Ray Absorption Spectra of Several Alkali Halides

M. Schlüter; J. D. Joannopoulos; Marvin L. Cohen

doi:10.1103/PhysRevLett.33.89

New Interpretation of the Soft-X-Ray Absorption Spectra of Several Alkali Halides

M. Schlüter, J. D. Joannopoulos, and Marvin L. Cohen

Phys. Rev. Lett. 33, 89 – Published 8 July 1974

Abstract

New pseudopotential calculations of the densities of states of trigonal Se and Te (in excellent agreement with recent photoemission measurements) are used to show that two easily resolved peaks in the photoemission data are directly related to interchain and intrachain bonding. This identification is accomplished by calculating electronic charge densities as a function of energy for different energy regions. Finally we introduce a new method for determining bonding charges by extracting short-wavelength components of the electronic charge density.

Received 22 April 1974

DOI:https://doi.org/10.1103/PhysRevLett.33.89

Authors & Affiliations

M. Schlüter^*, J. D. Joannopoulos, and Marvin L. Cohen

Department of Physics, University of California, Berkeley, California 94720, and Inorganic Materials Research Division, Lawrence Berkeley Laboratory, Berkeley, California 94720