Surface structure, bonding, and dynamics [electronic resource] : The universality of zincblende (110) potential energy surfaces
- Washington, D.C. : United States. Dept. of Energy, 1991. and Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
- Physical Description:
- 26 pages : digital, PDF file
- Additional Creators:
- Pacific Northwest Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
- Restrictions on Access:
- Free-to-read Unrestricted online access
- Using a tight-binding, total energy (TBTE) model we examine the hypothesis that the potential energy surfaces (PES) describing the (110) cleavage faces of the tetrahedrally coordinated, zincblende-structure compound semiconductors exhibit a common ``universal`` form if expressed in terms of suitably scaled parameters. TBTE calculations on both III-V and II-VI compounds reveal a linear scaling with bulk lattice constant of the geometric parameters of the reconstructed surfaces. This scaling is analogous to that found using low-energy, electron-diffraction surface-structure determination. The surface atomic force constants (found from a TBTE calculation) also scale monotonically with the lattice constant. Using TBTE models proposed previously for GaP, GaAs, GaSb, InP, and ZnSe, we find that the force constants scale as the inverse square of the bulk lattice constant. These results suggest that if distances are measured in units of the bulk lattice constant, the PES may be a universal function for the cleavage surface of zincblende-structure compound semiconductors, on average, with small fluctuations from this average occurring in individual materials. 22 refs., 5 figs., 1 tab.
- Published through SciTech Connect., 11/01/1991., "pnl-sa--19572", " conf-911132--13", "DE92005454", 38. national symposium of the American Vacuum Society,Seattle, WA (United States),11-15 Nov 1991., and Godin, T.J.; LaFemina, J.P.
- Funding Information:
View MARC record | catkey: 14457889