Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations

Isao Tanaka, Atsushi Togo, Atsuto Seko, Fumiyasu Oba, Yukinori Koyama, Akihide Kuwabara
  • Journal of Materials Chemistry, January 2010, Royal Society of Chemistry
  • DOI: 10.1039/c0jm01932a

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