Frontiers of Structural and Civil Engineering
>> 2019,
Volume 13,
Issue 2
doi:
10.1007/s11709-018-0491-5
RESEARCH ARTICLE
Electronic and mechanical responses of two-dimensional HfS
| Institute of Structural Mechanics, Bauhaus-Universität Weimar, D-99423 Weimar, Germany |
Accepted: 2018-07-10
Available online: 2019-03-12
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Abstract
During the last decade, numerous high-quality two-dimensional (2D) materials with semiconducting electronic character have been synthesized. Recent experimental study (Sci. Adv. 2017;3: e1700481) nevertheless confirmed that 2D ZrSe and HfSe are among the best candidates to replace the silicon in nanoelectronics owing to their moderate band-gap. We accordingly conducted first-principles calculations to explore the mechanical and electronic responses of not only ZrSe and HfSe , but also ZrS and HfS in their single-layer and free-standing form. We particularly studied the possibility of engineering of the electronic properties of these attractive 2D materials using the biaxial or uniaxial tensile loadings. The comprehensive insight provided concerning the intrinsic properties of HfS , HfSe , ZrS , and ZrSe can be useful for their future applications in nanodevices.
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