正交晶系
凝聚态物理
钙钛矿(结构)
物理
铁电性
材料科学
电子能带结构
自旋(空气动力学)
结晶学
晶体结构
量子力学
化学
热力学
电介质
作者
S. Bandyopadhyay,Atanu Paul,Indra Dasgupta
出处
期刊:Physical review
日期:2020-01-22
卷期号:101 (1)
被引量:26
标识
DOI:10.1103/physrevb.101.014109
摘要
First-principles electronic-structure calculations have been employed to investigate the Rashba-Dresselhaus spin splitting of bands in the recently predicted ferroelectric nitride perovskite ${\mathrm{LaWN}}_{3}$. Our first-principles results are supplemented with an effective $\mathbf{k}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{p}$ model analysis. A systematic study of orthorhombic and rhombohedral phases of this system reveals the importance of symmetry in realizing the nature of the splitting of bands around the time-reversal invariant $k$ points. Orthorhombic ${\mathrm{LaWN}}_{3}$ shows linear Rashba-Dresselhaus splitting where nonsymmorphic symmetries play an important role in enhancing the band splitting in the ${k}_{z}=\ensuremath{\pi}/c$ plane, while the rhombohedral phase shows the existence of a unique higher order Rashba-Dresselhaus term which mixes with the linear Rashba-Dresselhaus term to produce an unusual pattern of out-of-plane spin components in the spin texture.
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