Atomistic simulation study of the ferroelectric and paraelectric phases of the hexagonal RMnO3 (R = Er, Tm, Yb, Lu, In and Sc) family
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DOI: 10.1016/j.jssc.2018.09.048
Abstract: Abstract A set of interatomic potential parameters for modeling the hexagonal manganites h-RMnO3 (R = Er, Tm, Yb, In and Sc) was developed. The structural properties in the ferroelectric (FE) phase were studied, that is,… read more here.
Keywords: atomistic simulation; rmno3 family; study; pressure ... See more keywords