Computational Study of Chalcopyrite Semiconductors and Their Non-Linear Optical Properties

Abstract

Electronic structure studies were carried out for chalcopyrite semiconductors with the aim of modeling their optical properties. The main results of the grant are : a comprehensive study of the Intrinsic point defects In ZnGeP2 (Including cation antisites, cation and anion vacancies) and CdGeAs2; a study of the feasibility of nonciritical phase matching and associated nonlinear optical parameters in CdSiP2 and CdSIAs2; a study of the band structure of defect chalcopyrites with formula 11-1112-V14; a study of the band gap bowing and Its effect on optical parameters In (CuAg)GaS2 and AgGa(Se,Te)2 alloy systems; a study of phonons In ZnGeN2 and ZnSiN2; a study of the electronic band structure In CuS2; a study of the oxygen vacancy in ZnO. The last topic was studied as a means to demonstrate the use of a new computational approach to Including band gap corrections In point defect calculations. The before last topic Is of relevance to photovoltaic applications.

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Document Details

Document Type
Technical Report
Publication Date
Sep 12, 2007
Accession Number
ADA472459

Entities

People

  • Walter R. Lambrecht

Organizations

  • Case Western Reserve University

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Band Gaps
  • Band Structures
  • Compound Semiconductors
  • Crystal Lattices
  • Crystal Structure
  • Crystals
  • Energy Bands
  • Frequency
  • Frequency Conversion
  • Materials
  • Optical Materials
  • Optical Properties
  • Optics
  • Point Defects
  • Refraction
  • Refractive Index
  • Semiconductors

Fields of Study

  • Materials science

Readers

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

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene