Diversity of hydrogen configuration and its roles in SrTiO3−δ

APL Materials. 2014;2(1):012103-012103-6 DOI 10.1063/1.4854355

 

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Journal Title: APL Materials

ISSN: 2166-532X (Online)

Publisher: AIP Publishing LLC

LCC Subject Category: Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials | Technology: Chemical technology: Biotechnology | Science: Physics

Country of publisher: United States

Language of fulltext: English

Full-text formats available: PDF, HTML

 

AUTHORS

Yoshiki Iwazaki (Taiyo Yuden Co., Ltd., 5607-2 Nakamuroda-machi Takasaki-shi, Gunma 370-3347, Japan)
Yoshihiro Gohda (Department of Physics, The University of Tokyo, 7-3-1 Hongo Bunkyo-ku, Tokyo 113-0033, Japan)
Shinji Tsuneyuki (Department of Physics, The University of Tokyo, 7-3-1 Hongo Bunkyo-ku, Tokyo 113-0033, Japan)

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Time From Submission to Publication: 10 weeks

 

Abstract | Full Text

As a source of carrier electron, various configurations of hydrogen in SrTiO3 are searched by using first-principles calculations. The most stable form of hydrogen is found to be H−, where doubly charged oxygen vacancy VO2+ changes into singly charged HO+. Most importantly, an additional H− is found to be weakly trapped by HO+, which completely neutralizes carrier electrons by forming (2H)O0. These unexpected behaviors of hydrogen, which can explain reported experimental results, expand the role of the hydrogen in carrier-control technology in transition-metal oxides.