✦ LIBER ✦

Energetics of native defects in

✍ Scribed by I. Hamada; H. Katayama-Yoshida

Publisher: Elsevier Science
Year: 2006
Tongue: English
Weight: 211 KB
Volume: 376-377
Category: Article
ISSN: 0921-4526
DOI: 10.1016/j.physb.2005.12.202

No coin nor oath required. For personal study only.

✦ Synopsis

Delafossite CuAlO 2 is a prototype p-type transparent conducting oxide. We have performed ab initio total energy calculation on native point defects to investigate the origin of p-type conductivity in 'undoped' CuAlO 2 . Copper-and oxygen-related defects, such as vacancies, interstitials, and antisites in their relevant charge states are considered. We have found that oxygen interstitial and copper vacancy have relatively low formation energies and they are the relevant defects in CuAlO 2 . It is also found that oxygen interstitial induces deep levels, while copper vacancy induce no deep levels in the band gap. Our results indicate that copper vacancy plays an important role in the p-type conductivity and also controlling of copper and oxygen pressure is decisively important for the fabrication of CuAlO 2 .

📜 SIMILAR VOLUMES

Energetics of point defects in TiC

✍ Denis Music; Daniel P. Riley; Jochen M. Schneider 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 407 KB

Density functional theory was used to evaluate the energetics of point defects in TiC x (x < 1): C vacancies and Al substitution at a C site. Our ambition is to contribute towards understanding the underlying atomic mechanisms enabling the Al intercalation into TiC x and the subsequent formation of

Spectral Characteristics of Native Defec

Spectral Characteristics of Native Defects in BN

✍ B. Berzina; L. Trinkler; K. Atobe 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 51 KB

Energetics of defects in β-SiC under irr

Energetics of defects in β-SiC under irradiation

✍ Y. Watanabe; K. Morishita; A. Kohyama; H.L. Heinisch; F. Gao 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 508 KB

Native point defects in ZnS films

✍ D. Kurbatov; V. Kosyak; A. Opanasyuk; V. Melnik 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 307 KB

The native point defects structure in ZnS films obtained by the close-spaced vacuum sublimation technique at different growth conditions has been studied. The energy levels in the band gap were studied by the photoluminescence and injection spectroscopy under monopolar injection conditions. Lumines

Native defects in InxGa1−xN alloys

✍ S.X. Li; K.M. Yu; J. Wu; R.E. Jones; W. Walukiewicz; J.W. Ager III; W. Shan; E.E 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 276 KB

Frozen-in native defects in semiconducto

Frozen-in native defects in semiconductor compounds

✍ K.I. Hagemark 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 61 KB