Thin Films, Surfaces and Interfaces: A Fourier-Transform Theory of Their Electronic Structure.

Abstract

Presents mathematical topics needed to carry out ab initio electronic structure calculations on surface or interfacial systems. Includes a study of methods for Brillouin-zone integrations, an analysis of electrostatic energies in periodic films, convergence acceleration techniques for lattice sums, and a general exposition of the formulation of the Hartree-Fock method for systems with two-dimensional periodicity. (Author)

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Document Details

Document Type
Technical Report
Publication Date
May 15, 1981
Accession Number
ADA102637

Entities

People

  • Frank E. Harris

Organizations

  • University of Utah

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Bravais Lattices
  • Brillouin Zones
  • Chemistry
  • Complex Variables
  • Computational Science
  • Crystal Lattices
  • Crystal Structure
  • Cubic Lattices
  • Electrons
  • Energy Bands
  • Fermi Levels
  • First Principles Calculations
  • Quantum Mechanics
  • Quantum Numbers
  • Solid State Physics
  • Theorems
  • Two Dimensional

Fields of Study

  • Physics

Readers

  • Business Analytics
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene