Emerging Nontrivial Topology in Ultrathin Films of Rare-Earth Pnictides

被引:3
作者
Ho, Dai Q. [1 ,2 ]
Hu, Ruiqi [1 ]
To, D. Quang [1 ]
Bryant, Garnett W. [3 ,4 ]
Janotti, Anderson [1 ]
机构
[1] Univ Delaware, Dept Mat Sci & Engn, Newark, DE 19716 USA
[2] Quy Nhon Univ, Fac Nat Sci, Qui Nhon 590000, Vietnam
[3] NIST, Nanoscale Device Characterizat Div, Joint Quantum Inst, Gaithersburg, MD 20899 USA
[4] Univ Maryland, College Pk, MD 20742 USA
基金
美国国家科学基金会;
关键词
rare-earthmonopnictide; quantum spin Hall insulator; evenand odd band gap oscillation; quantum confinementeffect; thin film; TOTAL-ENERGY CALCULATIONS; PHASE-TRANSITION; QUANTUM; SCHEMES; STATE; ERAS;
D O I
10.1021/acsnano.3c03307
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Thin films of rare-earth monopnictide (RE-V) semimetals are expected to turn into semiconductors due to quantum confinement effects (QCE), lifting the overlap between electron pockets at Brillouin zone edges (X) and hole pockets at the zone center (Gamma). Instead, using LaSb as an example, we find the emergence of the quantum spin Hall (QSH) insulator phase in (001)-oriented films as the thickness is reduced to 7, 5, or 3 monolayers (MLs). This is attributed to a strong QCE on the in-plane electron pockets and the lack of quantum confinement on the out-of-plane pocket projected onto the zone center, resulting in a band inversion. Spin-orbit coupling (SOC) opens a sizable nontrivial gap in the band structure of ultrathin films. Such effect is anticipated to be general in rare-earth monopnictides and may lead to interesting phenomena when coupled with the 4f magnetic moments present in other members of this family of materials.
引用
收藏
页码:20991 / 20998
页数:8
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