8−Pmmn硼罗芬中菌株依赖载流子迁移率:ab-initio研究

Shalini Tomar, P. Rastogi, B. Bhadoria, S. Bhowmick, A. Agarwal, S. Yogesh Chauhan
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引用次数: 0

摘要

最近在单晶Ag(111)衬底上成功制备了8-Pmmn硼罗芬的二维层,并证明其具有倾斜的各向异性狄拉克锥。本文研究了8 - Pmmn硼罗芬中载流子迁移率随应变的变化。利用密度泛函理论和恒定松弛时间近似的玻尔兹曼输运方法计算了8 - Pmmn硼罗芬的电子结构、群速度和载流子迁移率。结果表明,各向异性导致了各向异性基团速度和迁移率。计算室温下的本征群速度和迁移率为2。$17 \乘以10^{6ms^{-1}}$, 2。$42 \乘以10^{6ms^{-1}}$和1。82美元\ * 10 ^{6厘米^ {2 V ^ {1 s ^{1}}}, 2.26 \ * 10 ^{6厘米^ {2 V ^ {1 s ^ {1}}}}} + x美元,美元+ y方向以及1.56美元\ * 10 ^ {6 ms ^ {1}}, 2.43 \ * 10 ^ {6 ms ^{1}} $和$ 9.42 \ * 10 ^{5}厘米^ {2}V ^ s ^{1}{1}, 2.29 \ * 10 ^{6厘米^ {2 V ^ {1 s ^{1}}}},美元- x - y方向,分别。在1%的压应变下,两者均达到最高。
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Strain Dependent Carrier Mobility in 8 − Pmmn Borophene: ab-initio study
Recently two dimensional layer of 8-Pmmn borophene has been successfully fabricated on single crystal Ag(111) substrate and shown to have a tilted anisotropic Diraccone. In this paper we investigate the strain dependent carrier mobility in 8 - Pmmn borophene. We calculate the electronic structure, group velocity and carrier mobility of 8 - Pmmn borophene using density functional theory coupled with Boltzmann transport method using constant relaxation time approximation. Our results show that bandstructure anisotropy results in anisotropic group velocity and mobility. The intrinsic group velocity and mobility at room temperature are calculated to be 2. $17 \times 10^{6ms^{-1}}$, 2. $42 \times 10^{6ms^{-1}}$ and 1. $82 \times 10^{6 cm^{2V^{-1s^{-1}}},2.26\times 10^{6 cm^{2V^{-1s^{-1}}}}}$ in $+x, +y$ direction as well as $1.56\times 10^{6ms^{-1}}, 2.43\times 10^{6ms^{-1}}$ and $9.42\times 10^{5} cm^{2}V^{-1}s^{-1}, 2.29\times 10^{6 cm^{2V^{-1s^{-1}}}}$, in - x, - y directions, respectively. Both of them are found to be highest under 1% compressive strain.
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