Issue 5, 2019

Theoretical prediction of HfB2 monolayer, a two-dimensional Dirac cone material with remarkable Fermi velocity

Abstract

Searching for new two-dimensional (2D) Dirac cone materials has been popular since the discovery of graphene with a Dirac cone structure. Based on density functional theory (DFT) calculations, we theoretically designed a HfB2 monolayer as a new 2D Dirac material by introducing the transition metal Hf into a graphene-like boron framework. This newly predicted HfB2 monolayer has pronounced thermal and kinetic stabilities along with a Dirac cone with a massless Dirac fermion and Fermi velocities (3.59 × 105 and 6.15 × 105 m s−1) comparable to that of graphene (8.2 × 105 m s−1). This study enriches the diversity and promotes the application of 2D Dirac cone materials.

Graphical abstract: Theoretical prediction of HfB2 monolayer, a two-dimensional Dirac cone material with remarkable Fermi velocity

Supplementary files

Article information

Article type
Paper
Submitted
07 Oct 2018
Accepted
26 Dec 2018
First published
21 Jan 2019
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2019,9, 2740-2745

Theoretical prediction of HfB2 monolayer, a two-dimensional Dirac cone material with remarkable Fermi velocity

Z. Liu, P. Wang, Q. Cui, G. Yang, S. Jin and K. Xiong, RSC Adv., 2019, 9, 2740 DOI: 10.1039/C8RA08291J

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