Structure and stability of a homologous series of tin oxides
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Abstract
The structures and stabilities of a series of nonstoichiometric SnO2-x compounds, which are yet unknown experimentally, are predicted using the cluster expansion technique combined with first-principles calculations. A homologous series of Snn+1O2n in which oxygen vacancies are layered on (101) planes of the rutile lattice is discovered. The homologous crystals are composed of divalent and quadrivalent Sn atoms. No trivalent Sn atoms are formed.
Journal
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- Physical Review Letters
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Physical Review Letters 100 (4), 2008-02-01
American Physical Society (APS)
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Details 詳細情報について
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- CRID
- 1050001202110839296
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- NII Article ID
- 120001462586
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- NII Book ID
- AA00773679
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- ISSN
- 00319007
- 10797114
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- HANDLE
- 2433/84641
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- Text Lang
- en
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- Article Type
- journal article
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- Data Source
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- IRDB
- CiNii Articles