Topological Dirac nodal loops in nonsymmorphic hydrogenated monolayer boron

N. T. Cuong, I. Tateishi, M. Cameau, M. Niibe, N. Umezawa, B. Slater, K. Yubuta, T. Kondo, M. Ogata, S. Okada, and I. Matsuda

Phys. Rev. B 101, 195412 – Published 7 May 2020

Abstract

The existence of a topological Dirac nodal loop is predicted for hydrogenated monolayer boron sheets with a nonsymmorphic symmetry. The three-center two-electron bonds in boron compounds restrict the electronic system to be insulating or semimetallic with a Dirac nodal loop. Two types of electronic structures are distinguished by the $Z_{2}$ topological index and confirmed by first-principles total-energy calculations. The topological taxonomy, developed in this research, can be applied to other two-dimensional materials and to seek novel Dirac fermions.

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Received 30 June 2019
Revised 26 March 2020
Accepted 27 March 2020

DOI:https://doi.org/10.1103/PhysRevB.101.195412

Physics Subject Headings (PhySH)

Dirac fermions Electronic structure Topological materials

2-dimensional systems Dirac semimetal Monolayer films Two-dimensional electron gas Two-dimensional electron system

Density functional calculations Z_2 symmetry

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

N. T. Cuong ¹, I. Tateishi ^2,*, M. Cameau ³, M. Niibe ^4,5, N. Umezawa ⁶, B. Slater⁷, K. Yubuta ⁸, T. Kondo ^1,9, M. Ogata², S. Okada¹, and I. Matsuda ^5,†

¹Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba, 305-8571, Japan
²Department of Physics, School of Science, University of Tokyo, Hongo, Tokyo 113-0033, Japan
³Institut des Nanosciences de Paris, Sorbonne Universite, Paris, 75005, France
⁴Laboratory of Advanced Science and Technology for Industry (LASTI), University of Hyogo, Hyogo 678-1205, Japan
⁵Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan
⁶Semiconductor R&D Center, Samsung Electronics, 1, Samsungjeonja-ro, Hwaseong-si, Gyeonggi-do 18448, Korea
⁷Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom
⁸Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan
⁹Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503, Japan

^*i.tateishi@hosi.phys.s.u-tokyo.ac.jp
^†imatsuda@issp.u-tokyo.ac.jp

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Vol. 101, Iss. 19 — 15 May 2020

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