Carbon-rich icosahedral boron carbides beyond B4C and their thermodynamic stabilities at high temperature and pressure from first principles
نویسندگان
چکیده
A. Ektarawong,1,* S. I. Simak,2 and B. Alling1,3 1Thin Film Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden 2Theoretical Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden 3Max-Planck-Institut für Eisenforschung GmbH, D-40237 Düsseldorf, Germany (Received 4 June 2016; published 10 August 2016)
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