Abstract
The bulk ferroelectric materials lacking spacing inversion symmetry were proposed to exhibit Rashba-Dresselhaus spin-splitting effects, which may allow for a nonvolatile electric control of spin degrees of freedom. In the present work, we investigated the structural and ferroelectric properties of tetragonal phase of ferroelectric BiAlO3 by means of density functional calculations. Two metastable tetragonal phases of BiAlO3 were predicted. Both metastable tetragonal phases demonstrated Rashba-Dresselhaus effects, giving rise to spin-splitting due to spin-orbit coupling in their bulk electronic structure. The calculated metastable confirmed the hypothesis that BiAlO3 possessed a large variety of metastable structural phases as BiFeO3, which was expected to show some extraordinary behavior similar with BiFeO3. Particularly, BiAlO3 was considered as the first known oxide to exhibit a coexistence of ferroelectricity and Rashba-Dresselhaus effects.
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