This article is cited in 28 papers

Electronic and optical properties of semiconductors

Charge neutrality level and electronic properties of GaSe under pressure

V. N. Brudnyi^a, A. V. Kosobutsky^b, S. Yu. Sarkisov<sup>a

a</sup> Tomsk State University
^b Kemerovo State University

Abstract: Calculations of lattice parameters and electron band spectra of GaSe have been carried out from the first principles. The dependence of these parameters on hydrostatic compression as high as 5 GPa and on homogeneous biaxial tensile and compressive stresses (from -3 to 3 GPa) in the basal plane of the unit cell is considered. The calculations adequately reproduce the experimental features of the major interband transitions in GaSe under a hydrostatic pressure and, in the absence of experimental data, predict the dependence of structural and electronic properties of GaSe under the effect of a biaxial stress. On the basis of calculated band spectra, the energy position of the local charge neutrality level CNL, $E_v$ + 0.8 eV, has been determined and electronic properties of the as-grown material and energy diagrams for interphase boundaries in GaSe have been analyzed.

Received: 15.02.2010
Accepted: 03.03.2010

 English version: Semiconductors, 2010, 44:9, 1158–1166

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