Journal ArticleDOI
Electric field modulation of electronic structures in InSe and black phosphorus heterostructure
TLDR
In this article, the electronic structures of InSe and black phosphorus (BP) heterostructure modulated by an external electric field (E ⊥ ) have been investigated based on first-principles calculations.About:
This article is published in Solid State Communications.The article was published on 2018-01-01. It has received 24 citations till now. The article focuses on the topics: Band gap & Direct and indirect band gaps.read more
Citations
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Journal Article
Black Phosphorus Field-effect Transistors
Likai Li,Yijun Yu,Guo Jun Ye,Q. Q. Ge,Xuedong Ou,Hua Wu,Donglai Feng,Xianhui Chen,Yuanbo Zhang +8 more
TL;DR: In this paper, a few-layer black phosphorus crystals with thickness down to a few nanometres are used to construct field effect transistors for nanoelectronic devices. But the performance of these materials is limited.
Journal ArticleDOI
Two-dimensional black phosphorus: physical properties and applications
TL;DR: In this article, a review of the properties and applications of two-dimensional black phosphorus (BP) can not only promote deeper understanding of the physical structure and properties of BP, but also enable the rational design of various devices based on BP's properties.
Journal ArticleDOI
Tuning electronic properties of InSe/arsenene heterostructure by external electric field and uniaxial strain
TL;DR: In this article, the structural and electronic properties of InSe/arsenene bilayer were analyzed based on density functional theory, and it was shown that the bilayer formed a type-II van der Waals heterostructure with a direct band gap of 0.876
Journal ArticleDOI
Tunable electronic properties of an Sb/InSe van der Waals heterostructure by electric field effects.
Zhihui Zhang,Yan Zhang,Zifeng Xie,Xing Wei,Tingting Guo,Jibin Fan,Lei Ni,Ye Tian,Jian Liu,Li Duan +9 more
TL;DR: The characteristic of type-II band alignment is robust, while the band gap values are tunable with respect to a moderate external electric field, even leading to an intriguing semiconductor-metal transition at a strong electric field.
Journal ArticleDOI
Interlayer Band-to-Band Tunneling and Negative Differential Resistance in van der Waals BP/InSe Field-Effect Transistors
Quanshan Lv,Faguang Yan,Nobuya Mori,Wenkai Zhu,Ce Hu,Zakhar R. Kudrynskyi,Zakhar D. Kovalyuk,Amalia Patanè,Kaiyou Wang +8 more
TL;DR: In this paper, the authors demonstrate TFETs based on BP/InSe heterojunctions with diverse electrical transport characteristics: forward rectifying, Zener-tunneling and backward rectifying characteristics are realized in BP/INSe junctions with different thickness of the BP layer or by electrostatic gating of the junction.
References
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Journal ArticleDOI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.
Journal ArticleDOI
Ab initio molecular dynamics for liquid metals.
Georg Kresse,Jürgen Hafner +1 more
TL;DR: In this paper, the authors present an ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local density approximation.
Journal ArticleDOI
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides.
TL;DR: This work reviews the historical development of Transition metal dichalcogenides, methods for preparing atomically thin layers, their electronic and optical properties, and prospects for future advances in electronics and optoelectronics.
Journal ArticleDOI
A fast and robust algorithm for Bader decomposition of charge density
TL;DR: In this article, an algorithm for decomposition of electronic charge density into atomic contributions is presented. But instead of explicitly finding and representing the dividing surfaces, which is a challenging task, the algorithm assigns each point on a regular (x,y,z) grid to one of the regions by following a steepest ascent path on the grid.
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