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- W2901230586 abstract "In recent years, predictive computational modeling has become a cornerstone for the study of fundamental electronic, optical, and thermal properties in complex forms of condensed matter, including Dirac and topological materials. The simulation of quantum transport in realistic materials calls for the development of linear scaling, or order-$N$, numerical methods, which then become enabling tools for guiding experimental research and for supporting the interpretation of measurements. In this review, we describe and compare different order-$N$ computational methods that have been developed during the past twenty years, and which have been used extensively to explore quantum transport phenomena in disordered media. We place particular focus on the zero-frequency electrical conductivities derived within the Kubo-Greenwood and Kubo-Streda formalisms, and illustrate the capabilities of these methods to tackle the quasi-ballistic, diffusive, and localization regimes of quantum transport in the noninteracting limit. The fundamental issue of computational cost versus accuracy of various proposed numerical schemes is addressed in depth. We then illustrate the usefulness of these methods with various examples of transport in disordered materials, such as polycrystalline and defected graphene models, 3D metals and Dirac semimetals, carbon nanotubes, and organic semiconductors. Finally, we extend the review to the study of spin dynamics and topological transport, for which efficient approaches for calculating charge, spin, and valley Hall conductivities are described." @default.
- W2901230586 created "2018-11-29" @default.
- W2901230586 creator A5001262876 @default.
- W2901230586 creator A5004996519 @default.
- W2901230586 creator A5010996254 @default.
- W2901230586 creator A5026938747 @default.
- W2901230586 creator A5028970783 @default.
- W2901230586 creator A5066662175 @default.
- W2901230586 creator A5074589178 @default.
- W2901230586 creator A5090558562 @default.
- W2901230586 date "2018-11-18" @default.
- W2901230586 modified "2023-10-18" @default.
- W2901230586 title "Linear Scaling Quantum Transport Methodologies" @default.
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