Surface structure, bonding, and dynamics: Universality of zinc blende (110) potential energy surfaces

Journal Article · Wed Jul 01 00:00:00 EDT 1992 · Journal of Vacuum Science and Technology, A (Vacuum, Surfaces and Films); (United States)

DOI:https://doi.org/10.1116/1.578025· OSTI ID:7182982

Godin, T J; LaFemina, J P ^[1]; Duke, C B ^[2]

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1. Molecular Science Research Center, Pacific Northwest Laboratory, P. O. Box 999, Richland, Washington 99352 (United States)
2. Xerox Webster Research Center, 800 Phillips Road, 0114-38D, Webster, New York 14580 (United States)

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 zinc blende 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, InSb, 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 surfaces of zinc blende structure compound semiconductors, on average, with small fluctuations from this average occurring in individual materials.

• DOE Contract Number: AC06-76RL01830
• OSTI ID: 7182982
• Journal Information: Journal of Vacuum Science and Technology, A (Vacuum, Surfaces and Films); (United States), Journal Name: Journal of Vacuum Science and Technology, A (Vacuum, Surfaces and Films); (United States) Vol. 10:4; ISSN 0734-2101; ISSN JVTAD
• Country of Publication: United States
• Language: English

Related Subjects

665000* -- Physics of Condensed Matter-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BOND LENGTHS
CLEAVAGE
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
DIMENSIONS
ENERGY
LATTICE PARAMETERS
LENGTH
MATERIALS
MICROSTRUCTURE
POTENTIAL ENERGY
SCALING LAWS
SEMICONDUCTOR MATERIALS
SURFACE PROPERTIES