First-Principles Calculations of Elasticity, Polarization-Related Properties, and Nonlinear Optical Coefficients in Zn-IV-N2 Compounds

Abstract

The Zn-IV-N2 compounds with the group-IV elements Si, Ge, and Sn are a series of promising wide-band-gap semiconductors with estimated band gaps ranging from about 1 to possibly as large as 5 eV.(sup 1-3). As is the case for their III-N analogs, their relatively high ionicity implies that they are also potentially interesting piezoelectric materials and, according to their relatively low symmetry, should be pyroelectric, i.e., possess a nonzero spontaneous polarization. Their analogy with the II-IV-V2 chalcopyrites suggests that they may also have interesting nonlinear optical properties. Although second-order nonlinear coefficients are known to decrease with increasing band gap, certain applications such as frequency doubling into the UV range require wide band gaps.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 2009
Accession Number
ADA520177

Entities

People

  • Tula R Paudel
  • Walter R. Lambrecht

Organizations

  • Case Western Reserve University

Tags

Communities of Interest

  • Air Platforms
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Band Gaps
  • Brillouin Zones
  • Computational Science
  • Crystal Lattices
  • Crystal Structure
  • Crystals
  • Electric Fields
  • Energy Bands
  • First Principles Calculations
  • Frequency
  • Materials
  • Mechanics
  • Optical Properties
  • Perturbation Theory
  • Piezoelectric Materials
  • Quantum Wells
  • Refractive Index

Fields of Study

  • Materials science

Readers

  • Materials Science and Engineering.
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.

Technology Areas

  • Microelectronics