Point defect reduction in MOCVD (Al)GaN by chemical potential control and a comprehensive model of C incorporation in GaN

Abstract

A theoretical framework that provides a quantitative relationship between point defect formation energies and growth process parameters is presented. It enables systematic point defect reduction by chemical potential control in metalorganic chemical vapor deposition (MOCVD) of III-nitrides. Experimental corroboration is provided by a case study of C incorporation in GaN. The theoretical model is shown to be successful in providing quantitative predictions of CN defect incorporation in GaN as a function of growth parameters and provides valuable insights into boundary phases and other impurity chemical reactions. The metal supersaturation is found to be the primary factor in determining the chemical potential of III/N and consequently incorporation or formation of point defects which involves exchange of III or N atoms with the reservoir. The framework is general and may be extended to other defect systems in (Al)GaN. The utility of equilibrium formalism typically employed in density functional theory in predicting defect incorporation in non-equilibrium and high temperature MOCVD growth is confirmed. Furthermore, the proposed theoretical framework may be used to determine optimal growth conditions to achieve minimum compensation within any given constraints such as growth rate, crystal quality, and other practical system limitations.

Document Details

Document Type
Pub Defense Publication
Publication Date
Dec 27, 2017
Source ID
10.1063/1.5002682

Entities

People

  • Felix Kaess
  • Pramod Reddy
  • Ramón Collazo
  • Ronny Kirste
  • Seiji Mita
  • Shun Washiyama
  • Zlatko Sitar

Organizations

  • Air Force Office of Scientific Research
  • Army Research Office
  • National Science Foundation
  • North Carolina State University

Tags

Fields of Study

  • Materials science

Readers

  • Computational Modeling and Simulation
  • Materials Science and Engineering.
  • Semiconductor Device Technology