Phase evolution in the ferroelectric relaxor Ba(Ti1−x,Zrx)O3 from atomistic simulations
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DOI: 10.1103/physrevb.99.064111
Abstract: We develop and/or use a combination of first-principles density functional theory and first-principles-based effective Hamiltonian approaches to investigate phase evolution in Ba(Ti1−x, Zrx )O3 ferroelectric relaxor. Our simulations reveal two competing effects, which are associated… read more here.
Keywords: ferroelectric relaxor; phase; phase evolution; ti1 zrx ... See more keywords