Computing the Effects of Strain on Electronic States: A Survey of Methods and Issues

Abstract

We present a cursory survey of existing computational methods and known challenges in estimating accurate electronic band structures of materials suited for electronic device concepts. Both ab initio and empirical approaches are described, but greater emphasis is on atomistic and continuum-based empirical methods. Empirical pseudopotential, Slater-Koster tight-binding, k.p, envelope function, and effective mass methods are discussed and compared. Remarkable variability is found in the approaches for incorporating the effects of strain. Despite these differences, however, all methods are suited for handling infinitesimal strain. The results within this context show good agreement among the methods.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 2012
Accession Number
ADA576507

Entities

People

  • James J. Ramsey
  • Peter W. Chung

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Band Gaps
  • Band Structures
  • Charge Carriers
  • Compound Semiconductors
  • Computational Science
  • Crystal Structure
  • Electronic Structure Theory
  • Electronics Laboratories
  • Energy Bands
  • Exclusion Principle
  • First Principles Calculations
  • Materials
  • Materials Science
  • Military Research
  • Semiconductor Devices
  • Semiconductors
  • Spin-Orbit Interaction

Readers

  • Mechanical Engineering/Mechanics of Materials.
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.
  • Systems Analysis and Design

Technology Areas

  • Microelectronics