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Engineering a robust quantum spin Hall state in graphene via adatom deposition
TLDR
In this paper, the authors provide a blueprint for stabilizing a robust topological insulator (TIs) in a more readily available two-dimensional material (graphene) using symmetry arguments, density functional theory, and tight-binding simulations.Abstract:
The 2007 discovery of quantized conductance in HgTe quantum wells delivered the field of topological insulators (TIs) its first experimental confirmation. While many three-dimensional TIs have since been identified, HgTe remains the only known two-dimensional system in this class. Difficulty fabricating HgTe quantum wells has, moreover, hampered their widespread use. With the goal of breaking this logjam we provide a blueprint for stabilizing a robust TI state in a more readily available two-dimensional material---graphene. Using symmetry arguments, density functional theory, and tight-binding simulations, we predict that graphene endowed with certain heavy adatoms realizes a TI with substantial band gap. For indium and thallium, our most promising adatom candidates, a modest 6% coverage produces an estimated gap near 80K and 240K, respectively, which should be detectable in transport or spectroscopic measurements. Engineering such a robust topological phase in graphene could pave the way for a new generation of devices for spintronics, ultra-low-dissipation electronics and quantum information processing.read more
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New directions in the pursuit of Majorana fermions in solid state systems
TL;DR: This review paper highlights recent advances in the condensed matter search for Majorana that have led many in the field to believe that this quest may soon bear fruit and discusses the most remarkable properties of condensed matter Majorana fermions-the non-Abelian exchange statistics that they generate and their associated potential for quantum computation.
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Graphene Spintronics
TL;DR: The experimental and theoretical state-of-art concerning spin injection and transport, defect-induced magnetic moments, spin-orbit coupling and spin relaxation in graphene are reviewed.
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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.
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Low-energy effective Hamiltonian involving spin-orbit coupling in silicene and two-dimensional germanium and tin
TL;DR: In this article, the authors derived the low energy effective Hamiltonian involving spin-orbit coupling (SOC) for silicene, which is the analog to the graphene quantum spin Hall effect (QSHE) Hamiltonian.
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Spintronics and pseudospintronics in graphene and topological insulators.
Dmytro Pesin,Allan H. MacDonald +1 more
TL;DR: The status of efforts to achieve long spin-relaxation times in graphene with its weak spin- orbit coupling, and to achieve large current-induced spin polarizations in topological-insulator surface states that have strong spin-orbit coupling are reviewed.
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.
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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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Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.