Fcc breathing instability inBaBiO3from first principles
نویسندگان
چکیده
منابع مشابه
First-principles study of ternary fcc solution phases from special quasirandom structures
In the present work, ternary special quasirandom structures SQSs for a fcc solid solution phase are generated at different compositions, xA=xB=xC= 1 3 and xA= 1 2 , xB=xC= 1 4 , whose correlation functions are satisfactorily close to those of a random fcc solution. The generated SQSs are used to calculate the mixing enthalpy of the fcc phase in the Ca-Sr-Yb system. It is observed that first-pri...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2006
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.73.212106