scholarly journals Copper halide diselenium: predicted two-dimensional materials with ultrahigh anisotropic carrier mobilities

RSC Advances ◽  
2020 ◽  
Vol 10 (14) ◽  
pp. 8016-8026 ◽  
Author(s):  
Fazel Shojaei ◽  
Maryam Azizi ◽  
Zabiollah Mahdavifar ◽  
Busheng Wang ◽  
Gilles Frapper
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Two Dimensional ◽  
Copper Halide ◽  
New Class ◽  
Two Dimensional Materials ◽  
Bonding Properties ◽  
High Carrier ◽  
Indirect Band Gap ◽  
Very High

The physical and bonding properties of a new class of two-dimensional materials – CuXSe2 (X = Cl, Br) – are investigated using first-principles methods. 2D CuXSe2 are indirect band gap and possess extremely anisotropic and very high carrier mobilities.

scholarly journals Band-gap tuning and optical response of two-dimensionalSixC1−x: A first-principles real-space study of disordered two-dimensional materials

2017 ◽  
Vol 96 (5) ◽  
Author(s):  
Banasree Sadhukhan ◽  
Prashant Singh ◽  
Arabinda Nayak ◽  
Sujoy Datta ◽  
Duane D. Johnson ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Optical Response ◽  
Real Space ◽  
Two Dimensional ◽  
Two Dimensional Materials ◽  
Band Gap Tuning

Penta-MX2 (M = Ni, Pd and Pt; X = P and As) monolayers: direct band-gap semiconductors with high carrier mobility

2019 ◽  
Vol 7 (12) ◽  
pp. 3569-3575 ◽  
Author(s):  
Shifeng Qian ◽  
Xiaowei Sheng ◽  
Xian Xu ◽  
Yuxiang Wu ◽  
Ning Lu ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Carrier Mobility ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Ring Network ◽  
Direct Band Gap ◽  
Direct Band ◽  
High Carrier Mobility ◽  
High Carrier

Two-dimensional binary MX2 (M = Ni, Pd and Pt; X = P and As) exhibiting a beautiful pentagonal ring network is discussed through first principles calculations.

Not your familiar two dimensional transition metal disulfide: structural and electronic properties of the PdS2monolayer

2015 ◽  
Vol 3 (37) ◽  
pp. 9603-9608 ◽  
Author(s):  
Yu Wang ◽  
Yafei Li ◽  
Zhongfang Chen
Keyword(s):  
Transition Metal ◽  
Band Gap ◽  
Electronic Properties ◽  
Structural Properties ◽  
Tensile Strain ◽  
Two Dimensional ◽  
Structural And Electronic Properties ◽  
High Carrier ◽  
Indirect Band Gap

The PdS2monolayer has distinguished structural properties from other transition metal disulfides, and also has rather high carrier mobilities. It is semiconducting with a moderate indirect band gap, which could be effectively tuned by applying a tensile strain.

scholarly journals Electronic and magnetic properties of SnSe monolayers doped by Ga, In, As, and Sb: a first-principles study

2016 ◽  
Vol 18 (11) ◽  
pp. 8158-8164 ◽  
Author(s):  
Qingxia Wang ◽  
Weiyang Yu ◽  
Xiaonan Fu ◽  
Chong Qiao ◽  
Congxin Xia ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Band Gap ◽  
First Principles ◽  
Room Temperature ◽  
Two Dimensional ◽  
Electronic And Magnetic Properties ◽  
First Principles Study ◽  
Indirect Band Gap

A SnSe monolayer with an orthorhombic Pnma GeS structure is an important two-dimensional (2D) indirect band gap material at room temperature.

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