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Title: First-principles study on the electronic, optical, and transport properties of monolayer α - and β -GeSe

Authors:
; ; ; ; ; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1414620
Grant/Contract Number:
AC02-07CH11358
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 24; Related Information: CHORUS Timestamp: 2017-12-22 11:22:06; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Xu, Yuanfeng, Zhang, Hao, Shao, Hezhu, Ni, Gang, Li, Jing, Lu, Hongliang, Zhang, Rongjun, Peng, Bo, Zhu, Yongyuan, Zhu, Heyuan, and Soukoulis, Costas M. First-principles study on the electronic, optical, and transport properties of monolayer α - and β -GeSe. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.96.245421.
Xu, Yuanfeng, Zhang, Hao, Shao, Hezhu, Ni, Gang, Li, Jing, Lu, Hongliang, Zhang, Rongjun, Peng, Bo, Zhu, Yongyuan, Zhu, Heyuan, & Soukoulis, Costas M. First-principles study on the electronic, optical, and transport properties of monolayer α - and β -GeSe. United States. doi:10.1103/PhysRevB.96.245421.
Xu, Yuanfeng, Zhang, Hao, Shao, Hezhu, Ni, Gang, Li, Jing, Lu, Hongliang, Zhang, Rongjun, Peng, Bo, Zhu, Yongyuan, Zhu, Heyuan, and Soukoulis, Costas M. 2017. "First-principles study on the electronic, optical, and transport properties of monolayer α - and β -GeSe". United States. doi:10.1103/PhysRevB.96.245421.
@article{osti_1414620,
title = {First-principles study on the electronic, optical, and transport properties of monolayer α - and β -GeSe},
author = {Xu, Yuanfeng and Zhang, Hao and Shao, Hezhu and Ni, Gang and Li, Jing and Lu, Hongliang and Zhang, Rongjun and Peng, Bo and Zhu, Yongyuan and Zhu, Heyuan and Soukoulis, Costas M.},
abstractNote = {},
doi = {10.1103/PhysRevB.96.245421},
journal = {Physical Review B},
number = 24,
volume = 96,
place = {United States},
year = 2017,
month =
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on December 22, 2018
Publisher's Accepted Manuscript

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  • The intrinsic carrier transport dynamics in phosphorene is theoretically examined. Utilizing a density functional theory treatment, the low-field mobility and the saturation velocity are characterized for both electrons and holes in the monolayer and bilayer structures. The analysis clearly elucidates the crystal orientation dependence manifested through the anisotropic band structure and the carrier-phonon scattering rates. In the monolayer, the hole mobility in the armchair direction is estimated to be approximately five times larger than in the zigzag direction at room temperature (460 cm{sup 2}/V s vs. 90 cm{sup 2}/V s). The bilayer transport, on the other hand, exhibits a more modest anisotropy with substantiallymore » higher mobilities (1610 cm{sup 2}/V s and 760 cm{sup 2}/V s, respectively). The calculations on the conduction-band electrons indicate a comparable dependence while the characteristic values are generally smaller by about a factor of two. The variation in the saturation velocity is found to be less pronounced. With the anticipated superior performance and the diminished anisotropy, few-layer phosphorene offers a promising opportunity particularly in p-type applications.« less
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