3 research outputs found
Raman and cathodoluminescence analysis of transition metal ion implanted Ga2O3 nanowires
VUV–UV 5d–4f interconfigurational transitions of Nd3+ in BaMgF4 ferroelectric crystals
First-principle study of the electronic structures and ferroelectric properties in BaZnF 4
The electronic structures and ferroelectric properties of barium fluoride
BaZnF4 were investigated by employing ab initio calculations based on the
density-functional theory within generalized gradient approximation. We
discussed the possible origin of ferroelectricity of BaZnF4 by the
analysis of Born effective charges, orbital-resolved density of states, and
distribution of charge density. The results show that the barium and
fluorine atoms are very important polarization unity. The calculated
spontaneous polarization of 14.2Â ÎĽC/cm2 by using Berry-phase approach
is reasonable agreement with previous experimental data. Barium fluorides
are promising candidates for use in nonvolatile memories devices