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Title: A Computational Study of Ferromagnetic Exchange Interactions and Charge Transfer in Codoped Gallium Nitride

Abstract

This study reports a systematic density functional theory-based analysis on electronic properties of individual doping and codoping of Ti and Ce into GaN. In the case of codoped GaN, the placement of Ti and Ce at nearest neighbour sites appeared as the most stable configuration. The unoccupied states in the case of individual doped material are observed to become occupied after codoping, and a metal-to-metal charge transfer of the Ti-N-Ce character is observed in the material. The interaction between dopants suggests 4f-5d-CB hybridization that opens the way to the exploitation of novel luminescence phenomena. A model showing charge transfer and interaction between the dopants is proposed.

Authors:
 [1];  [2]; ;  [1]
  1. University of Gujrat, Department of Physics (Pakistan)
  2. International Islamic University, Spintronics Laboratory, Department of Physics (Pakistan)
Publication Date:
OSTI Identifier:
22774114
Resource Type:
Journal Article
Journal Name:
Journal of Superconductivity and Novel Magnetism
Additional Journal Information:
Journal Volume: 31; Journal Issue: 2; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; Article Copyright (c) 2017 Springer Science+Business Media, LLC; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1557-1939
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CERIUM; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; EXCHANGE INTERACTIONS; GALLIUM NITRIDES; HYBRIDIZATION; LUMINESCENCE; TITANIUM

Citation Formats

Majid, Abdul, Ahmad, Naeem, Awan, Tahir Iqbal, and Javed, Mehreen. A Computational Study of Ferromagnetic Exchange Interactions and Charge Transfer in Codoped Gallium Nitride. United States: N. p., 2018. Web. doi:10.1007/S10948-017-4230-2.
Majid, Abdul, Ahmad, Naeem, Awan, Tahir Iqbal, & Javed, Mehreen. A Computational Study of Ferromagnetic Exchange Interactions and Charge Transfer in Codoped Gallium Nitride. United States. doi:10.1007/S10948-017-4230-2.
Majid, Abdul, Ahmad, Naeem, Awan, Tahir Iqbal, and Javed, Mehreen. Thu . "A Computational Study of Ferromagnetic Exchange Interactions and Charge Transfer in Codoped Gallium Nitride". United States. doi:10.1007/S10948-017-4230-2.
@article{osti_22774114,
title = {A Computational Study of Ferromagnetic Exchange Interactions and Charge Transfer in Codoped Gallium Nitride},
author = {Majid, Abdul and Ahmad, Naeem and Awan, Tahir Iqbal and Javed, Mehreen},
abstractNote = {This study reports a systematic density functional theory-based analysis on electronic properties of individual doping and codoping of Ti and Ce into GaN. In the case of codoped GaN, the placement of Ti and Ce at nearest neighbour sites appeared as the most stable configuration. The unoccupied states in the case of individual doped material are observed to become occupied after codoping, and a metal-to-metal charge transfer of the Ti-N-Ce character is observed in the material. The interaction between dopants suggests 4f-5d-CB hybridization that opens the way to the exploitation of novel luminescence phenomena. A model showing charge transfer and interaction between the dopants is proposed.},
doi = {10.1007/S10948-017-4230-2},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 2,
volume = 31,
place = {United States},
year = {2018},
month = {2}
}