Ves S., Schwarz U., Christensen N.E., Syassen K., Cardona M.
The authors have measured the effect of pressure on the energy of the direct-optical-absorption edge (E0 gap, Gamma 15nu to Gamma 1c) of cubic ZnS, covering the full stability range (0-15 GPa) of the tetrahedral phase. The E0 gap exhibits a sublinear increase under pressure, with the corresponding (linear) gap deformation potential being -5.0(2) eV. X-ray diffraction shows the high-pressure phase of ZnS to have the NaCl-type structure for pressures up to at least 27 GPa. In contrast to earlier reports, this phase is not metallic but shows a broad optical-absorption edge with onset near 2 eV, which is characteristic of an indirect-gap material. Experimental results for the equation of state and band-gap deformation potential are compared with ab initio calculations based on local-density theory and the relativistic linear-muffin-tin-orbital method.
Physical Review B, 42 9113-18, 1990.
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