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We propose new topological insulators in hexagonal wurtzite-type binary compounds based on the first principles calculations. It is found that two compounds AgI and AuI are three-dimensional topological insulators with a naturally opened…

Materials Science · Physics 2013-10-21 X. M. Zhang , R S. Ma , X. C. Liu , E. K. Liu , G. D. Liu , Z. Y. Liu , W. H. Wang , G. H. Wu

Surfaces of topological insulators host a new class of states with Dirac dispersion and helical spin texture. Potential quantum computing and spintronic applications using these states require manipulation of their electronic properties at…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Haim Beidenkopf , Pedram Roushan , Jungpil Seo , Lindsay Gorman , Ilya Drozdov , Yew San Hor , R. J. Cava , Ali Yazdani

We study Bi2Se3 by polarization-dependent angle-resolved photoemission spectroscopy (ARPES) and density-functional theory slab calculations. We find that the surface state Dirac fermions are characterized by a layer-dependent entangled…

We study topological properties of density wave states with broken translational symmetry in two-dimensional multi-orbital systems with a particular focus on t$_{2g}$ orbitals in square lattice. Due to distinct symmetry properties of…

Strongly Correlated Electrons · Physics 2015-05-19 Bohm-Jung Yang , Hae-Young Kee

Using a density functional based electronic structure method, we study the effect of perturbations on the surface state Dirac cone of a strong topological insulator Bi$_2$Se$_3$ from both the intrinsic and extrinsic sources. We consider…

Materials Science · Physics 2010-12-15 Jiwon Chang , Priyamvada Jadaun , Leonard F. Register , Sanjay K. Banerjee , Bhagawan Sahu

Total energies, electronic structure, surface energies, polarization, potentials and charge densities were studied for slabs of BaTiO_3 using the Linearized Augmented Plane Wave (LAPW) method. The depolarization field inhibits…

mtrl-th · Physics 2008-02-03 Ronald E. Cohen

Prototypical three-dimensional topological insulators of the Bi$_2$Se$_3$ family provide a beautiful example of the appearance of the surface states inside the bulk band gap caused by spin-orbit coupling-induced topology. The surface states…

Mesoscale and Nanoscale Physics · Physics 2020-10-27 Klaus Zollner , Jaroslav Fabian

Topological insulators (TIs) are novel materials that manifest spin-polarized Dirac states on their surfaces or at interfaces made with conventional matter. We have measured the electron kinetics of bulk doped TI Bi$_2$Se$_3$ with angle…

Materials Science · Physics 2012-06-07 L. A. Wray , M. Neupane , S. -Y. Xu , Y. -Q. Xia , A. V. Fedorov , H. Lin , S. Basak , A. Bansil , Y. S. Hor , R. J. Cava , M. Z. Hasan

We study the topologically non-trivial semi-metals by means of the 6-band Kane model. Existence of surface states is explicitly demonstrated by calculating the LDOS on the material surface. In the strain free condition, surface states are…

Mesoscale and Nanoscale Physics · Physics 2011-04-14 Rui-Lin Chu , Wen-Yu Shan , Jie Lu , Shun-Qing Shen

The recently discovered three dimensional or bulk topological insulators are expected to exhibit exotic quantum phenomena. It is believed that a trivial insulator can be twisted into a topological state by modulating the spin-orbit…

Mesoscale and Nanoscale Physics · Physics 2011-10-24 Su-Yang Xu , Y. Xia , L. A. Wray , D. Qian , Shuang Jia , J. H. Dil , F. Meier , J. Osterwalder , B. Slomski , H. Lin , R. J. Cava , M. Z. Hasan

Interlayer coupling is strongly implicated in the complex electronic properties of 1$T$-TaS$_2$ , but the interplay between this and electronic correlations remains unresolved. Here, we employ angle-resolved photoemission spectroscopy…

Orbital degrees of freedom can have pronounced effects on the fundamental properties of electrons in solids. In addition to influencing bandwidths, gaps, correlation strength and dispersion, orbital effects have also been implicated in…

Mesoscale and Nanoscale Physics · Physics 2018-06-12 Daniel Walkup , Badih Assaf , Kane L Scipioni , R. Sankar , Fangcheng Chou , Guoqing Chang , Hsin Lin , Ilija Zeljkovic , Vidya Madhavan

We study the properties of the surface states in three-dimensional topological insulators in the presence of a ferromagnetic exchange field. We demonstrate that for layered materials like Bi$_2$Se$_3$ the surface states on the top surface…

Mesoscale and Nanoscale Physics · Physics 2014-03-21 Tomi Paananen , Henning Gerber , Matthias Götte , Thomas Dahm

We study how the electronic structure of the bilayer graphene (BLG) is changed by electric field and strain from {\it ab initio} density-functional calculations using the LMTO and the LAPW methods. Both hexagonal and Bernal stacked…

Materials Science · Physics 2010-03-10 B. R. K. Nanda , S. Satpathy

A single Dirac cone on the surface is the hallmark of three-dimensional (3D) topological insulators, where the double degeneracy at the Dirac point is protected by time-reversal symmetry and the spin-splitting away from the point is…

Mesoscale and Nanoscale Physics · Physics 2016-01-05 Ling Lu , Chen Fang , Liang Fu , Steven G. Johnson , John D. Joannopoulos , Marin Soljačić

One of the most exciting subjects in solid state physics is a single layer of graphite which exhibits a variety of unconventional novel properties. The key feature of its electronic structure are linear dispersive bands which cross in a…

We demonstrate theoretically the coexistence of Dirac semimetal and topological insulator phases in InSb/$\alpha$-Sn conventional semiconductor superlattices, based on advanced first-principles calculations combined with low-energy $k\cdot…

Materials Science · Physics 2016-07-18 Jian-Peng Sun , Jia-ji Zhu , Dong Zhang , Kai Chang

We have performed spin- and angle-resolved photoemission spectroscopy of the topological insulator Pb(Bi,Sb)2Te4 (Pb124) and observed significant out-of-plane spin polarization on the hexagonally warped Dirac-cone surface state. To put this…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 M. Nomura , S. Souma , A. Takayama , T. Sato , T. Takahashi , K. Eto , Kouji Segawa , Yoichi Ando

The bulk band structure of Bi$_2$Te$_3$ has been determined by angle-resolved photoemission spectroscopy and compared to first-principles calculations. We have performed calculations using the local density approximation (LDA) of density…

Layered narrow band gap semiconductor Bi2Se3 is composed of heavy elements with strong spin-orbital coupling (SOC), which has been identified both as a good candidate of thermoelectric material of high thermoelectric figure-of-merit (ZT)…

Materials Science · Physics 2018-04-04 G. J. Shu , S. C. Liou , S. K. Karna , R. Sankar , M. Hayashi , F. C. Chou