Spin-orbit coupling induced band splitting in bulk ferroelectric BiAlO3 with tetragonal phase
Spin-orbit coupling induced band splitting in bulk ferroelectric BiAlO3 with tetragonal phase
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四方相体铁电 BiAlO3 中的自旋轨道耦合引起的能带分裂
DOI：
10.1016/j.jallcom.2018.06.291
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发表时间：
2018-10
影响因子：
6.2
通讯作者：
Zhimin Li
中科院分区：
文献类型：
--
作者：
Dongyan Zhang;Zhimin Li
缺乏空间反转对称性的大块铁电材料表现出Rashba-Dresselhaus自旋分裂效应，这可能允许对自旋自由度进行非挥发的电控制。在本工作中，我们用密度泛函方法研究了铁电BiAlO_3四方相的结构和铁电性质。预测了BiAlO_3的两个亚稳四方相。这两个亚稳的四方相都表现出Rashba-Dresselhaus效应，由于它们的体电子结构中的自旋-轨道耦合导致了自旋分裂。计算的亚稳态结果证实了BiAlO_3和BiFeO_3一样具有多种亚稳结构相的假设，它有望表现出与BiFeO_3相似的特殊行为。特别是BiAlO_3被认为是第一个铁电性和Rashba-Dresselhaus效应共存的氧化物。
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 BiAlO3by means of density functional calculations. Two metastable tetragonal phases of BiAlO3were 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 BiAlO3possessed a large variety of metastable structural phases as BiFeO3, which was expected to show some extraordinary behavior similar with BiFeO3. Particularly, BiAlO3was considered as the first known oxide to exhibit a coexistence of ferroelectricity and Rashba-Dresselhaus effects.
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影响因子：
3.7
作者：
Kresse, G;Furthmuller, J
通讯作者：
Furthmuller, J
影响因子：
3.1
作者：
Picozzi, Silvia
通讯作者：
Picozzi, Silvia
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2.7
作者：
Bea, H.;Gajek, M.;Barthelemy, A.
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3.7
作者：
MONKHORST, HJ;PACK, JD
通讯作者：
PACK, JD
影响因子：
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作者：
MONKHORST, HJ;PACK, JD
通讯作者：
PACK, JD