Topological Semimetals from First Principles

Gao, Heng; Venderbos, Jörn W.F.; Kim, Youngkuk; Rappe, Andrew M.

doi:10.1146/annurev-matsci-070218-010049

Topological Semimetals from First Principles

Journal Article · Mon Jul 01 00:00:00 EDT 2019 · Annual Review of Materials Research

DOI:https://doi.org/10.1146/annurev-matsci-070218-010049· OSTI ID:1867036

Gao, Heng ^[1]; Venderbos, Jörn W.F. ^[2]; Kim, Youngkuk ^[3]; Rappe, Andrew M. ^[2]

Shanghai Univ. (China); University of Pennsylvania
Univ. of Pennsylvania, Philadelphia, PA (United States)
Sungkyunkwan Univ., Suwon (Korea)

We review recent theoretical progress in the understanding and prediction of novel topological semimetals. Topological semimetals define a class of gapless electronic phases exhibiting topologically stable crossings of energy bands. Different types of topological semimetals can be distinguished on the basis of the degeneracy of the band crossings, their codimension (e.g., point or line nodes), and the crystal space group symmetries on which the protection of stable band crossings relies. Furthermore, the dispersion near the band crossing is a further discriminating characteristic. These properties give rise to a wide range of distinct semimetal phases such as Dirac or Weyl semimetals, point or line node semimetals, and type I or type II semimetals. In this review we give a general description of various families of topological semimetals, with an emphasis on proposed material realizations from first-principles calculations. The conceptual framework for studying topological gapless electronic phases is reviewed, with a particular focus on the symmetry requirements of energy band crossings, and the relation between the different families of topological semimetals is elucidated. In addition to the paradigmatic Dirac and Weyl semimetals, we pay particular attention to more recent examples of topological semimetals, which include nodal line semimetals, multifold fermion semimetals, and triple-point semimetals. Less emphasis is placed on their surface state properties, their responses to external probes, and recent experimental developments.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Pennsylvania, Philadelphia, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation MRSEC Program; National Research Foundation of Korea (NRF)

Grant/Contract Number:: FG02-07ER46431

OSTI ID:: 1867036

Journal Information:: Annual Review of Materials Research, Journal Name: Annual Review of Materials Research Journal Issue: 1 Vol. 49; ISSN 1531-7331

Publisher:: Annual ReviewsCopyright Statement

Country of Publication:: United States

Language:: English

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