First-principles calculations of the surface states of doped and alloyed topological materials via band unfolding method

Angle-resolved photoemission studies of quantum materials

(2021) Jonathan A. Sobota et al.   REVIEWS OF MODERN PHYSICS

The PseudoDojo : Training and grading a 85 element optimized norm-conserving pseudopotential table

(2018) M.J. van Setten et al.   COMPUTER PHYSICS COMMUNICATIONS

Visualizing electronic structures of quantum materials by angle-resolved photoemission spectroscopy

(2018) Haifeng Yang et al.   Nature Reviews Materials

Large-scale ab initio simulations based on systematically improvable atomic basis

(2016) Pengfei Li et al.   COMPUTATIONAL MATERIALS SCIENCE

Band Engineering of Dirac Surface States in Topological-Insulator-Based van der Waals Heterostructures

(2015) Cui-Zu Chang et al.   PHYSICAL REVIEW LETTERS

Discovery of a Weyl fermion semimetal and topological Fermi arcs

(2015) S.-Y. Xu et al.   SCIENCE

First-principles study of surface states in topological insulators Bi2Te3and Bi2Se3: film thickness dependence

(2014) Takehiro Kato et al.   MOLECULAR SIMULATION

Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding

(2014) Paulo V. C. Medeiros et al.   PHYSICAL REVIEW B

Topological Insulator Materials

(2013) Yoichi Ando   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Absence of a Dirac cone in silicene on Ag(111): First-principles density functional calculations with a modified effective band structure technique

(2013) Yun-Peng Wang et al.   PHYSICAL REVIEW B

Optimized norm-conserving Vanderbilt pseudopotentials

(2013) D. R. Hamann   PHYSICAL REVIEW B

Topological crystalline insulator states in Pb1−xSn x Se

(2012) P. Dziawa et al.   NATURE MATERIALS

Experimental realization of a topological crystalline insulator in SnTe

(2012) Y. Tanaka et al.   Nature Physics

ExtractingEversusk⃗effective band structure from supercell calculations on alloys and impurities

(2012) Voicu Popescu et al.   PHYSICAL REVIEW B

Topological crystalline insulators in the SnTe material class

(2012) Timothy H. Hsieh et al.   Nature Communications

Observation of a topological crystalline insulator phase and topological phase transition in Pb1−xSn x Te

(2012) Su-Yang Xu et al.   Nature Communications

Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates

(2011) Xiangang Wan et al.   PHYSICAL REVIEW B

Topological Crystalline Insulators

(2011) Liang Fu   PHYSICAL REVIEW LETTERS

Topological insulators and superconductors

(2011) Xiao-Liang Qi et al.   REVIEWS OF MODERN PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Quasiparticle scattering and the protected nature of the topological states in a parent topological insulatorBi2Se3

(2010) S. R. Park et al.   PHYSICAL REVIEW B

Unfolding First-Principles Band Structures

(2010) Wei Ku et al.   PHYSICAL REVIEW LETTERS

Colloquium: Topological insulators

(2010) M. Z. Hasan et al.   REVIEWS OF MODERN PHYSICS

Massive Dirac Fermion on the Surface of a Magnetically Doped Topological Insulator

(2010) Y. L. Chen et al.   SCIENCE

A tunable topological insulator in the spin helical Dirac transport regime

(2009) D. Hsieh et al.   NATURE

Observation of a large-gap topological-insulator class with a single Dirac cone on the surface

(2009) Y. Xia et al.   Nature Physics

Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface

(2009) Haijun Zhang et al.   Nature Physics

Topological phases and the quantum spin Hall effect in three dimensions

(2009) Rahul Roy   PHYSICAL REVIEW B

p-typeBi2Se3for topological insulator and low-temperature thermoelectric applications

(2009) Y. S. Hor et al.   PHYSICAL REVIEW B

Observation of Time-Reversal-Protected Single-Dirac-Cone Topological-Insulator States inBi2Te3andSb2Te3

(2009) D. Hsieh et al.   PHYSICAL REVIEW LETTERS

Experimental Realization of a Three-Dimensional Topological Insulator, Bi2Te3

(2009) Y. L. Chen et al.   SCIENCE

Observation of Unconventional Quantum Spin Textures in Topological Insulators

(2009) D. Hsieh et al.   SCIENCE

Investigation of band inversion in (Pb,Sn)Te alloys usingab initiocalculations

(2008) Xing Gao et al.   PHYSICAL REVIEW B

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS