Prediction of a Dirac state in monolayer TiB2

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Publication Type pre-print
School or College College of Engineering
Department Materials Science & Engineering
Creator Liu, Feng
Other Author Zhang, L. Z.; Wang, Z. F.; Du, S. X.; Gao, H.-J.,
Title Prediction of a Dirac state in monolayer TiB2
Date 2014-01-01
Description We predict the existence of a Dirac state in a monolayer TiB2 sheet (m-TiB2), a two-dimensionalmetal diboride, based on first-principles calculations. The band structure of m-TiB2 is found to be characterized with anisotropic Dirac cones with the largest Fermi velocity of 0.57 × 106 m/s, which is about one-half of that of graphene. The Dirac point is located at the Fermi level between the K and points, with the Dirac states arising primarily from the d orbitals of Ti. Freestanding m-TiB2 exhibits a bending instability, so that a planar m-TiB2 needs to be stabilized on a substrate. The calculation of m-TiB2 on a h-BN substrate reveals a negligible influence of the h-BN substrate on the electronic properties of m-TiB2. Our findings extend the Dirac materials to metal diborides.
Type Text
Publisher American Physical Society
Volume 90
Issue 16
First Page 161402-1
Last Page 161402-5
Language eng
Bibliographic Citation Zhang, L. Z., Wang, Z. F., Du, S. X., Gao, H.-J., & Liu, F. (2014). Prediction of a Dirac state in monolayer TiB2. Physical Review B - Condensed Matter and Materials Physics, 90(16), 161402-1-161402-5.
Rights Management (c) American Physical Society http://dx.doi.org/DOI: 10.1103/PhysRevB.90.161402.
Format Medium application/pdf
Format Extent 1,511,383 bytes
Identifier uspace,19030
ARK ark:/87278/s66148fc
Setname ir_uspace
ID 712733
Reference URL https://collections.lib.utah.edu/ark:/87278/s66148fc
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