$\mathrm{BaAs_3}$: A narrow gap 2D semiconductor with vacancy-induced semiconductor-metal transition

Fuente: arXiv
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Hauptverfasser: Tang, Ping, Yuan, Jun-Hui, Song, Ya-Qian, Xu, Ming, Xue, Kan-Hao, Miao, Xiang-Shui
Format: Preprint
Veröffentlicht: 2019
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author Tang, Ping
Yuan, Jun-Hui
Song, Ya-Qian
Xu, Ming
Xue, Kan-Hao
Miao, Xiang-Shui
author_facet Tang, Ping
Yuan, Jun-Hui
Song, Ya-Qian
Xu, Ming
Xue, Kan-Hao
Miao, Xiang-Shui
contents Searching for novel two-dimensional (2D) materials is highly desired in the field of nanoelectronics. We here propose a new 2D crystal barium tri-arsenide ($\mathrm{BaAs_3}$) with a series of encouraging functionalities. Being kinetically and thermally stable, the monolayer and bilayer forms of $\mathrm{BaAs_3}$ possess narrow indirect band gaps of 0.87 eV and 0.40 eV, respectively, with high hole mobilities on the order of ~$\mathrm{10^3\ cm^{2}\,V^{-1}\,s^{-1}}$. The electronic properties of 2D $\mathrm{BaAs_3}$ can be manipulated by controlling the layer thickness. The favorable cleavage energy reveals that layered $\mathrm{BaAs_3}$ can be produced as a freestanding 2D material. Furthermore, by introducing vacancy defects monolayer $\mathrm{BaAs_3}$ can be transformed from a semiconductor to a metal. 2D $\mathrm{BaAs_3}$ may find promising applications in nanoelectronic devices.
format Preprint
id arxiv_https___arxiv_org_abs_1904_08742
institution arXiv
publishDate 2019
record_format arxiv
spellingShingle $\mathrm{BaAs_3}$: A narrow gap 2D semiconductor with vacancy-induced semiconductor-metal transition
Tang, Ping
Yuan, Jun-Hui
Song, Ya-Qian
Xu, Ming
Xue, Kan-Hao
Miao, Xiang-Shui
Materials Science
Searching for novel two-dimensional (2D) materials is highly desired in the field of nanoelectronics. We here propose a new 2D crystal barium tri-arsenide ($\mathrm{BaAs_3}$) with a series of encouraging functionalities. Being kinetically and thermally stable, the monolayer and bilayer forms of $\mathrm{BaAs_3}$ possess narrow indirect band gaps of 0.87 eV and 0.40 eV, respectively, with high hole mobilities on the order of ~$\mathrm{10^3\ cm^{2}\,V^{-1}\,s^{-1}}$. The electronic properties of 2D $\mathrm{BaAs_3}$ can be manipulated by controlling the layer thickness. The favorable cleavage energy reveals that layered $\mathrm{BaAs_3}$ can be produced as a freestanding 2D material. Furthermore, by introducing vacancy defects monolayer $\mathrm{BaAs_3}$ can be transformed from a semiconductor to a metal. 2D $\mathrm{BaAs_3}$ may find promising applications in nanoelectronic devices.
title $\mathrm{BaAs_3}$: A narrow gap 2D semiconductor with vacancy-induced semiconductor-metal transition
topic Materials Science
url https://arxiv.org/abs/1904.08742