Electrical and Thermal Transport Calculations in Nanostructured Materials by All-Electron Mixed-Basis ab Initio Program TOMBO

Abstract

This is the first annual report of a project that uses locally-developed TOMBO (TOhoku Mixed Basis Orbitals ab-initio program) to study electron transport properties of materials. TOMBO employs mixed basis, composed of plane wave basis sets and atomic basis sets.

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Document Details

Document Type
Technical Report
Publication Date
Apr 11, 2012
Accession Number
ADA559483

Entities

People

  • Kawazoe Yoshiyuki

Organizations

  • Tohoku University

Tags

Communities of Interest

  • Air Platforms
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Band Structures
  • Computational Science
  • Crystal Lattices
  • Density Functional Theory
  • Electrons
  • Energy Bands
  • Gruneisen Parameter
  • Information Operations
  • Materials
  • Materials Science
  • Physical Properties
  • Plane Waves
  • Thermal Conductivity
  • Transport Properties
  • Transport Ships
  • Waves

Fields of Study

  • Chemistry

Readers

  • Nanoscale Plasmonic Nanotechnology
  • Quantum Chemistry

Technology Areas

  • Microelectronics
  • Space