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First-principles calculations are performed to study the electronic structures and topological phases of magnetic layered materials MnBi2Te4, MnBi2Se4 and MnSb2Te4 under different film thicknesses, strains and spin-orbit coupling (SOC)…

Computational Physics · Physics 2021-04-14 Ping Li , Jiangying Yu , Ying Wang , Weidong Luo

We use high-resolution, tunable angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations to study the electronic properties of single crystals of MnBi2Te4, a material that was predicted to be the…

Materials Science · Physics 2020-04-22 Przemyslaw Swatek , Yun Wu , Lin-Lin Wang , Kyungchan Lee , Benjamin Schrunk , Jiaqiang Yan , Adam Kaminski

The established diversity of electronic topology classes lends the opportunity to pair them into dual topological complexes. Bulk-surface correspondence then ensures the coexistence of a combination of boundary states that cannot be…

Mesoscale and Nanoscale Physics · Physics 2018-06-12 Nurit Avraham , Andrew Norris , Yan Sun , Yanpeng Qi , Lin Pan , Anna Isaeva , Alexander Zeugner , Claudia Felser , Binghai Yan , Haim Beidenkopf

We study the effect of stacking faults on the topological properties of the magnetic topological insulator MnBi$_{2}$Te$_{4}$ (MBT) using density functional theory calculations and the Hubbard $U$ being tuned with many-body diffusion Monte…

Materials Science · Physics 2023-05-17 Jeonghwan Ahn , Seoung-Hun Kang , Mina Yoon , Panchapakesan Ganesh , Jaron T. Krogel

It was recently shown that BiTeI, a semiconductor with polar crystal structure, possesses a giant spin-splitting of electrons, which has been interpreted in terms of Rashba-type spin-orbit coupling. Here, we use high field magneto-optical…

Mesoscale and Nanoscale Physics · Physics 2019-10-16 S. Bordacs , M. Orlita , M. Sikula , H. Murakawa , Y. Tokura

The ferromagnetic and antiferromagnetic nanostructure are crucial for fundamental spintronics devices, motivated by its potential application in spintronics, we theoretically investigate the electronic structure of the ferromagnetic and…

Mesoscale and Nanoscale Physics · Physics 2025-04-09 Jian Li , Zhu-Cai Yin , Qing-Xv Li , Jia-Ji Zhu

The search for chiral topological superconductivity in magnetic topological insulator (TI)-FeTe heterostructures is a key frontier in condensed matter physics, with potential applications in topological quantum computing. The combination of…

Based on the first-principles calculations and theoretical analysis, we investigate the electronic structures, topological phase transition (TPT) and topological properties of layered magnetic compound MnSb2Te4. It has the similar crystal…

Materials Science · Physics 2020-08-12 Liqin Zhou , Zhiyun Tan , Dayu Yan , Zhong Fang , Youguo Shi , Hongming Weng

Using angle-resolved photoemission spectroscopy, we report electronic structure for representative members of ternary topological insulators. We show that several members of this family, such as Bi2Se2Te, Bi2Te2Se, and GeBi2Te4, exhibit a…

Magnetic topological insulators can host chiral 1D edge channels at zero magnetic field, when a magnetic gap opens at the Dirac point in the band structure of 2D topological surface states, leading to the quantum anomalous Hall effect in…

This study presents a theoretical investigation of the thermoelectric properties of three-dimensional magnetic topological insulators (TIs), with a focus on the role of exchange interactions between magnetic dopants. The presence of these…

Mesoscale and Nanoscale Physics · Physics 2025-10-03 M. Tirgar , H. Barati Abgarmi , J. Abouie

We investigate the spin and charge densities of surface states of the three-dimensional topological insulator $Bi_2Se_3$, starting from the continuum description of the material [Zhang {\em et al.}, Nat. Phys. 5, 438 (2009)]. The spin…

Mesoscale and Nanoscale Physics · Physics 2012-09-04 P. G. Silvestrov , P. W. Brouwer , E. G. Mishchenko

The unoccupied part of the band structure in the magnetic topological insulator MnBi$_2$Te$_4$ is studied by first-principles calculations. We find a second, unoccupied topological surface state with similar electronic structure to the…

Mesoscale and Nanoscale Physics · Physics 2022-08-16 Yadong Jiang , Zhaochen Liu , Jing Wang

Nontrivial topology in type-II Dirac semimetal NiTe$_2$ leading to topologically protected surface states give rise to fascinating phenomena holding great promise for next-generation electronic and spintronic devices. Key parameters $-$…

Strongly Correlated Electrons · Physics 2025-06-13 Neeraj Bhatt , Asif Ali , Deepali Sharma , Sakshi Bansal , Manasi Mandal , Ravi Prakash Singh , Ravi Shankar Singh

The topological electronic structure plays a central role in the non-trivial physical properties in topological quantum materials. A minimal, hydrogen-atom-like topological electronic structure is desired for researches. In this work, we…

Combining first-principles calculations and tight-binding Hamiltonians, we study the stack-dependent behaviour of electronic and topological properties of layered antiferromagnet MnBi$_2$Te$_4$. Lateral shift of top septuple-layer greatly…

Materials Science · Physics 2025-03-05 Jiaheng Li , Quansheng Wu , Hongming Weng

Aiming at the future spintronics device applications of the spin-polarized surface states in three-dimensional topological insulator, a highly insulating bulk state and a tunable Dirac cone surface state are required. Here we employ a slab…

Materials Science · Physics 2020-01-01 Takao Kosaka , Kunihiko Yamauchi , Tamio Oguchi

Recently discovered intrinsic antiferromagnetic topological insulator MnBi$_2$Te$_4$ presents an exciting platform for realization of the quantum anomalous Hall effect and a number of related phenomena at elevated temperatures. An important…

By performing density functional theory (DFT) and Green's functions calculations, complemented by X-ray Photoemission Spectroscopy, we investigate the electronic structure of Fe/GeTe(111), a prototypical ferromagnetic/Rashba-ferroelectric…

Hybrid organic/inorganic interfaces have been widely reported to host emergent properties that go beyond those of their single constituents. Coupling molecules to the recently discovered topological insulators, which possess a linearly…

Materials Science · Physics 2016-01-20 Paolo Sessi , Thomas Bathon , Konstantin K. Kokh , Oleg E. Tereshchenko , Matthias Bode