Surface structure, bonding, and dynamics: The universality of zincblende (110) potential energy surfaces

Conference · Fri Nov 01 00:00:00 EST 1991

OSTI ID:10113011

Godin, T J; LaFemina, J P

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.

• Research Organization: Pacific Northwest Lab., Richland, WA (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: AC06-76RL01830
• OSTI ID: 10113011
• Report Number(s): PNL-SA-19572; CONF-911132-13; ON: DE92005454
• Resource Relation: Conference: 38. national symposium of the American Vacuum Society,Seattle, WA (United States),11-15 Nov 1991; Other Information: PBD: Nov 1991
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
SURFACES
STRUCTURAL CHEMICAL ANALYSIS
HABIT PLANES
RELAXATION
ELECTRON DIFFRACTION
INTERATOMIC FORCES
ZINC SELENIDES
GALLIUM ARSENIDES
INDIUM PHOSPHIDES
GALLIUM PHOSPHIDES
GALLIUM ANTIMONIDES
INDIUM ANTIMONIDES
HAMILTONIANS
ELECTRONIC STRUCTURE
SCALING LAWS
360602
STRUCTURE AND PHASE STUDIES