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Materials Design of the Codoping for the Fabrication of Low-Resistivity p-Type ZnSe and GaN by ab-initio Electronic Structure Calculation

1997; Wiley; Volume: 202; Issue: 2 Linguagem: Inglês

10.1002/1521-3951(199708)202

1521-3951

Hiroshi Katayama‐Yoshida, Takuya Yamamoto,

Ga2O3 and related materials

physica status solidi (b)Volume 202, Issue 2 p. 763-773 Research Article Materials Design of the Codoping for the Fabrication of Low-Resistivity p-Type ZnSe and GaN by ab-initio Electronic Structure Calculation H. Katayama-Yoshida, H. Katayama-Yoshida Department of Condensed Matter Physics, The Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567, Japan PRESTO, Japan Science and Technology Corporation, Kawaguchi, Saitama 332, JapanSearch for more papers by this authorT. Yamamoto, T. Yamamoto Department of Condensed Matter Physics, The Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567, Japan Department of Computational Science, Asahi Chemical Industry Co., Ltd., 2-1 Samejima, Fuji, Shizuoka 416, JapanSearch for more papers by this author H. Katayama-Yoshida, H. Katayama-Yoshida Department of Condensed Matter Physics, The Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567, Japan PRESTO, Japan Science and Technology Corporation, Kawaguchi, Saitama 332, JapanSearch for more papers by this authorT. Yamamoto, T. Yamamoto Department of Condensed Matter Physics, The Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567, Japan Department of Computational Science, Asahi Chemical Industry Co., Ltd., 2-1 Samejima, Fuji, Shizuoka 416, JapanSearch for more papers by this author First published: 16 November 2001 https://doi.org/10.1002/1521-3951(199708)202:2 3.0.CO;2-CCitations: 35AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat Abstract We propose an effective doping method, the "codoping (doping with n- and p-type dopants at the same time) method", for the fabrication of low-resistivity p-type ZnSe and GaN with wide-band-gap based upon ab-initio electronic band structure calculations. p-type doping eminently leads to an increase in the electrostatic energy, called the Madelung energy, which shifts the Se 4p levels for p-type doped ZnSe and the N 2p levels for p-type doped GaN materials towards higher energy regions. This leads to a destabilization of ionic charge distributions in p-type ZnSe and p-type GaN crystals, resulting in the self-compensation of anion intrinsic defects. For ZnSe crystals, we propose the codoping of n-type In donors at Zn sites and p-type N acceptors at Se sites based on the calculation. In addition, we propose the codoping of n-type Si-donors at Ga sites (n-type O donors at N sites) and p-type Be- or Mg acceptors at Ga sites. The codoping decreases the Madelung energy and leads to an increase in the net acceptor carrier density. Citing Literature Volume202, Issue2August 1997Pages 763-773 RelatedInformation