Topological crystalline insulators in the SnTe material class
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TLDR
This work predicts the first material realization of topological crystalline insulator in the semiconductor SnTe by identifying its non-zero topological index and predicts that as a manifestation of this non-trivial topology, SnTe has metallic surface states with an even number of Dirac cones on high-symmetry crystal surfaces.Abstract:
Topologically protected states of matter are receiving widespread attention owing to their unusual electronic properties Using numerical simulations, this study predicts that tin telluride is a physical realization of a new class of materials termed topological crystalline insulatorsread more
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Weyl semimetal phase in non-centrosymmetric transition metal monophosphides
TL;DR: In this article, the authors show that a family of nonmagnetic materials including TaAs, TaP, NbAs and NbP are Weyl semimetal (WSM) without inversion center.
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Topological Insulator Materials
TL;DR: Topological insulators represent a new quantum state of matter which is characterized by peculiar edge or surface states that show up due to a topological character of the bulk wave functions.
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Colloquium : Topological band theory
Arun Bansil,Hsin Lin,Tanmoy Das +2 more
TL;DR: In this paper, the authors discuss the underpinnings of the topological band theory and its materials applications, and propose a framework for predicting new classes of topological materials.
Journal ArticleDOI
Topological Insulator Materials
TL;DR: Topological insulators represent a new quantum state of matter which is characterized by peculiar edge or surface states that show up due to a topological character of the bulk wave functions as mentioned in this paper.
Journal ArticleDOI
Topological superconductors: a review
Masatoshi Sato,Yoichi Ando +1 more
TL;DR: In this paper, the relation between topological superconductivity and Majorana fermions is explained, and the difference between dispersive Majorana Fermions and a localized Majorana zero mode is emphasized.
References
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Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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Projector augmented-wave method
TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.