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We study with first-principles methods the interplay between bulk and surface Dirac fermions in three dimensional Dirac semimetals. By combining density functional theory with the coherent potential approximation, we reveal a topological…

介观与纳米尺度物理 · 物理学 2014-12-18 Awadhesh Narayan , Domenico Di Sante , Silvia Picozzi , Stefano Sanvito

We re-examine the band structure of the stripe charge ordered state of $\alpha$-(BEDT-TTF)$_2$I$_3$ under pressure by using an extended Hubbard model within the Hartree mean-field theory. By increasing pressure, we find a topological…

介观与纳米尺度物理 · 物理学 2015-05-28 A. Kobayashi , Y. Suzumura , F. Piéchon , G. Montambaux

Based on the first-principles band structure calculations, we investigate the effects of hydrostatic pressure on the conventional insulator (CI) Sb_2Se_3 and predict that it undergoes a topological quantum phase transition from a CI to a…

介观与纳米尺度物理 · 物理学 2014-01-07 Wei Li , Xin-Yuan Wei , Jian-Xin Zhu , C. S. Ting , Yan Chen

The discovery of new topological electronic materials brings a chance to uncover novel physics and plays a key role in observing and controlling various intriguing phenomena. Up to now, many materials have been theoretically proposed and…

材料科学 · 物理学 2021-12-15 Wei Zhang , Kaifa Luo , Zhendong Chen , Ziming Zhu , Rui Yu , Chen Fang , Hongming Weng

We have performed high-resolution angle-resolved photoemission spectroscopy on TlBiSe2, which is a member of the ternary chalcogenides theoretically proposed as candidates for a new class of three-dimensional topological insulators. By…

介观与纳米尺度物理 · 物理学 2010-12-21 Takafumi Sato , Kouji Segawa , Hua Guo , Katsuaki Sugawara , Seigo Souma , Takashi Takahashi , Yoichi Ando

Gapless Dirac surface states are protected at the interface of topological and normal band insulators. In a binary superlattice bearing such interfaces, we establish that valley-dependent dimerization of symmetry-unrelated Dirac surface…

材料科学 · 物理学 2014-10-31 Xiao Li , Fan Zhang , Qian Niu , Ji Feng

Interfaces between normal and topological insulators are bound to host metallic states that are protected by time-reversal symmetry and are therefore robust against disorder and interface reconstruction. Two-dimensional topological…

材料科学 · 物理学 2019-08-30 Thomas Olsen

The possibility to engineer the coupling of spin and valley physics is explored in ferroelectric oxide heterostructures with eg electronic configuration. We show that the polar structural distortion induces the appearance of spin-valley…

强关联电子 · 物理学 2017-02-01 Kunihiko Yamauchi , Paolo Barone , Silvia Picozzi

Using first-principles calculations, we found the topological phase transition induced by electric fields in one-bilayer Bi(111). The bandgap decreased with increasing electric field strength, and it is closed at 2.1 V/{\AA}. For fields…

材料科学 · 物理学 2018-03-13 Hikaru Sawahata , Naoya Yamaguchi , Hiroki Kotaka , Fumiyuki Ishii

This work explores the topological phase diagram of inverted-band-gap semiconductors under strain and spin-orbit coupling. Using a minimalistic Luttinger Hamiltonian model, we follow the transitions between a 3D topological insulator, a…

介观与纳米尺度物理 · 物理学 2026-05-25 Vitaly N. Golovach , Alexander Khaetskii

$\alpha$-Sn is an elemental topological material, whose topological phases can be tuned by strain and magnetic field. Such tunability offers a substantial potential for topological electronics. However, InSb substrates, commonly used to…

Three-dimensional topological insulators (TIs) host helical Dirac surface states at the interface with a trivial insulator. In quasi-one-dimensional TI nanoribbon structures the wave function of surface charges extends phase-coherently…

Two-dimensional (2D) metallic altermagnets present exciting opportunities for both fundamental research and practical innovations. Their ability to enhance tunneling magnetoresistance in magnetic tunnel junctions, combined with the direct…

介观与纳米尺度物理 · 物理学 2026-02-24 Raghottam M. Sattigeri , Xujia Gong , Amar Fakhredine , Carmine Autieri , Giuseppe Cuono

We investigate the electronic, structural and topological properties of the SnTe and PbTe cubic nanowires using ab-initio calculations. Using standard and linear-scale density functional theory, we go from the ultrathin limit up to the…

介观与纳米尺度物理 · 物理学 2026-01-14 Ghulam Hussain , Kinga Warda , Giuseppe Cuono , Carmine Autieri

We develop a unified view of topological phase transitions (TPTs) in solids by revising the classical band theory with the inclusion of topology. Re-evaluating the band evolution from an "atomic crystal" [a normal insulator (NI)] to a solid…

材料科学 · 物理学 2020-05-11 Huaqing Huang , Feng Liu

Recently, higher-order topological insulators have been attracting extensive interest. Unlike the conventional topological insulators that demand bulk gap closings at transition points, the higher-order band topology can be changed without…

其他凝聚态物理 · 物理学 2022-06-15 Juan Du , Tianzi Li , Xiying Fan , Qicheng Zhang , Chunyin Qiu

The electronic structure of \graySn(001) thin films strained compressively in-plane was studied both experimentally and theoretically. A new topological surface state (TSS) located entirely within the gapless projected bulk bands is…

By first-principles calculation based on the density functional theory (DFT) with the modified Becke-Johnson local density approximation plus Hubbard U (MBJLDA+U), we studied the band structures of the Yb chalcogenides YbO and YbS under…

材料科学 · 物理学 2015-06-24 Zhi Li , Jiu-Xing Zhang

We discuss possible topological phase transitions in Ge-based thin films of Ge(Bi$_x$Sb$_{1-x}$)$_2$Te$_4$ as a function of layer thickness and Bi concentration $x$ using the first principles density functional theory framework. The bulk…

介观与纳米尺度物理 · 物理学 2014-02-12 Bahadur Singh , Hsin Lin , R. Prasad , A. Bansil

Transport due to spin-helical massless Dirac fermion surface state is of paramount importance to realize various new physical phenomena in topological insulators, ranging from quantum anomalous Hall effect to Majorana fermions. However, one…

介观与纳米尺度物理 · 物理学 2014-02-13 Luis A. Jauregui , Michael T. Pettes , Leonid P. Rokhinson , Li Shi , Yong P. Chen