Atomistic Modeling of III-V Semiconductors: Thermodynamic Equilibrium and Growth Kinetics

Abstract

Growth kinetics and thermodynamic equilibrium can both be determining factors at different stages of III-V semiconductor heteroepitaxy. We study their interplay, employing kinetic Monte Carlo simulations for the InAs(001) surface. The simulation contains atomistic details of both species, including the stability of different reconstructions and their kinetics. The behavior of the surface in thermodynamic equilibrium, including different reconstructions, is determined exclusively by extensive total energy calculations employing ab initio density functional theory. The continuous phase transition between the alpha 2(2 x 4) and beta 2(2 x 4), predicted by theory, is confirmed by experiment. At full layer coverage, a recovery of the stable reconstruction is observed. The different time scales associated with As2 and In are discussed with respect to equilibrium and kinetics.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 2002
Accession Number
ADP012685

Entities

People

  • Frank Grosse
  • Jennifer J. Zinck
  • Mark F. Gyure
  • William Barvosa-carter

Organizations

  • University of California, Los Angeles

Tags

Communities of Interest

  • Air Platforms
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Accuracy
  • Computer Simulations
  • Density Functional Theory
  • Dynamics
  • Electron Diffraction
  • Energy
  • Geometry
  • Kinetics
  • Materials
  • Mathematics
  • Monte Carlo Method
  • Phase Transformations
  • Semiconductors
  • Simulations
  • Surface Energy
  • Time Dependence
  • Transitions

Readers

  • Molecular Photonics/Laser Physics
  • Powder metallurgy of Titanium alloys.
  • Semiconductor Device Technology

Technology Areas

  • Microelectronics