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Title: Energetics and magnetism of Co-doped GaN(0001) surfaces: A first-principles study

A comprehensive first-principles study of the energetics, electronic, and magnetic properties of Co-doped GaN(0001) thin films are presented and the effect of surface structure on the magnetic coupling between Co atoms is demonstrated. It is found that Co atoms prefer to substitute the surface Ga sites in different growth conditions. In particular, a CoN/GaN interface structure with Co atoms replacing the first Ga layer is preferred under N-rich and moderately Ga-rich conditions, while CoGa{sub x}/GaN interface is found to be energetically stable under extremely Ga-rich conditions. It is worth noted that the antiferromagnetic coupling between Co atoms is favorable in clean GaN(0001) surface, but the existence of ferromagnetism would be expected to occur as Co concentration increased in Ga-bilayer GaN(0001) surface. Our study provides the theoretical understanding for experimental research on Co-doped GaN films and might promise the Co:GaN system potential applications in spin injection devices.
Authors:
 [1] ;  [2] ; ;  [1] ;  [3]
  1. Key Laboratory for Optoelectronics and Communication of Jiangxi Province, Jiangxi Science and Technology Normal University, Nanchang 330018 (China)
  2. (China)
  3. College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing 101408 (China)
Publication Date:
OSTI Identifier:
22402785
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 22; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ANTIFERROMAGNETISM; ATOMS; DOPED MATERIALS; EQUIPMENT; FERROMAGNETISM; GALLIUM NITRIDES; INTERFACES; LAYERS; MAGNETIC PROPERTIES; SPIN; SURFACES; THIN FILMS