First principles calculations of Hydrogen - Titanium vacancy complexes in SrTiO3

Ceramics International

Volumn 39, Issue SUPPL.1, 2013, Pages

  Fongkaew, Ittipon ^a,b   T Thienprasert, Jiraroj ^b,c   Singh, D J ^d   Du, M H ^d   Limpijumnong, Sukit ^a,b  

^a SURANAREE UNIVERSITY OF TECHNOLOGY   (Thailand)

^b Thailand Ministry of Science and Technology   (Thailand)

^c KASETSART UNIVERSITY   (Thailand)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

First principles calculations; Hydrogen; SrTiO3; Vacancy

Indexed keywords

COMPUTATIONAL RESULTS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES DENSITY FUNCTIONAL CALCULATIONS; INFRARED MEASUREMENTS; LOCAL CONFIGURATIONS; LOCAL VIBRATION MODES; SRTIO; VIBRATIONAL SIGNATURE;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN; POSITIVE IONS; PROTONS; STRONTIUM TITANATES;

VACANCIES;

EID: 84875745029     PISSN: 02728842     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ceramint.2012.10.076     Document Type: Conference Paper

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