Topological semimetals studied by ab initio calculations

Motoaki Hirayama, Ryo Okugawa, Shuichi Murakami

Research output: Contribution to journalArticlepeer-review

32 Citations (Scopus)


In topological semimetals such as Weyl, Dirac, and nodal-line semimetals, the band gap closes at points or along lines in k space which are not necessarily located at high-symmetry positions in the Brillouin zone. Therefore, it is not straightforward to find these topological semimetals by ab initio calculations because the band structure is usually calculated only along high-symmetry lines. In this paper, we review recent studies on topological semimetals by ab initio calculations. We explain theoretical frameworks which can be used for the search for topological semimetal materials, and some numerical methods used in the ab initio calculations.

Original languageEnglish
Article number041002
Journaljournal of the physical society of japan
Issue number4
Publication statusPublished - 2018

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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