scholarly journals Electronic properties of a π-conjugated Cairo pentagonal lattice: Direct band gap, ultrahigh carrier mobility, and slanted Dirac cones

2018 ◽  
Vol 98 (8) ◽  
Author(s):  
Xiaofei Shao ◽  
Xiaobiao Liu ◽  
Xinrui Zhao ◽  
Junru Wang ◽  
Xiaoming Zhang ◽  
...  
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Carrier Mobility ◽  
Direct Band Gap ◽  
Direct Band

Strain-induced semimetal-to-semiconductor transition and indirect-to-direct band gap transition in monolayer 1T-TiS2

RSC Advances ◽  
2015 ◽  
Vol 5 (102) ◽  
pp. 83876-83879 ◽  
Author(s):  
Chengyong Xu ◽  
Paul A. Brown ◽  
Kevin L. Shuford
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Plane Strain ◽  
Material Properties ◽  
First Principles ◽  
Tensile Strain ◽  
First Principles Calculations ◽  
Direct Band Gap ◽  
Direct Band ◽  
Uniform Plane

We have investigated the effect of uniform plane strain on the electronic properties of monolayer 1T-TiS2using first-principles calculations. With the appropriate tensile strain, the material properties can be transformed from a semimetal to a direct band gap semiconductor.

Valley-selective circular dichroism and high carrier mobility of graphene-like BC6N

Nanoscale ◽  
2018 ◽  
Vol 10 (27) ◽  
pp. 13179-13186 ◽  
Author(s):  
Xiaobiao Liu ◽  
Xikui Ma ◽  
Han Gao ◽  
Xiaoming Zhang ◽  
Haoqiang Ai ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Band Gap ◽  
Carrier Mobility ◽  
Direct Band Gap ◽  
Black Phosphorene ◽  
Direct Band ◽  
High Carrier Mobility ◽  
High Carrier ◽  
Circular Dichroïsm

Graphene-like borocarbonitride (g-BC6N) has a direct-band gap of 1.833 eV, high carrier mobility comparable to that of black phosphorene and a pair of inequivalent valleys with opposite Berry curvatures in K and K′ points.

Electronic properties of Janus silicene: new direct band gap semiconductors

2016 ◽  
Vol 49 (44) ◽  
pp. 445305 ◽  
Author(s):  
Minglei Sun ◽  
Qingqiang Ren ◽  
Sake Wang ◽  
Jin Yu ◽  
Wencheng Tang
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Direct Band Gap ◽  
Direct Band

Novel electronic properties of two-dimensional AsxSby alloys studied using DFT

2018 ◽  
Vol 6 (11) ◽  
pp. 2854-2861 ◽  
Author(s):  
N. Zhao ◽  
Y. F. Zhu ◽  
Q. Jiang
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Effective Mass ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Direct Band

Monolayered α-AsxSby alloys harbor the direct band gap and the low effective mass in the certain component.

scholarly journals Theoretical Prediction of the Structural and Electronic Properties of a Single Layer Graphene-like Two-dimensional Janus GaInSTe

2021 ◽  
Vol 37 (2) ◽  
Author(s):  
Nguyen Van Chuong ◽  
Nguyen Ngoc Hieu ◽  
Nguyen Van Hieu
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
Electronic Properties ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Two Dimensional ◽  
Direct Band Gap ◽  
Structural And Electronic Properties ◽  
Direct Band ◽  
New Type

This paper constructs a new type of two-dimensional graphene-like Janus GaInSTe monolayer and systematically investigates its structural and electronic properties as well as the effect of external electric field using first-principles calculations. In the ground state, Janus GaInSTe monolayer is dynamically stable with no imaginary frequencies in its phonon spectrum and possesses a direct band gap semiconductor. The band gap of Janus GaInSTe monolayer can be tuned by applying an electric field, which leads the different transitions from semiconductor to metal, and from indirect to direct band gap. These findings show a great potential application of Janus GaInSTe material for designing next-generation devices.

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.

Mechanical properties of monolayer penta-graphene and phagraphene: a first-principles study

2016 ◽  
Vol 18 (38) ◽  
pp. 26736-26742 ◽  
Author(s):  
Hao Sun ◽  
Sankha Mukherjee ◽  
Chandra Veer Singh
Keyword(s):  
Mechanical Properties ◽  
Band Gap ◽  
Electronic Properties ◽  
First Principles ◽  
Direct Band Gap ◽  
First Principles Study ◽  
Direct Band

Two new graphene allotropes, penta-graphene and phagraphene, have been proposed recently with unique electronic properties,e.g.quasi-direct band gap, direction-dependent Dirac cones and tunable Fermi velocities.

Electronic Properties of Si - Ge Micro Nipi Structures

1988 ◽  
Vol 116 ◽  
Author(s):  
L. H. Yang ◽  
C. Y. Fong ◽  
J. S. Nelson
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Real Space ◽  
Band Alignment ◽  
Charge Carriers ◽  
Acceptor State ◽  
Direct Band Gap ◽  
N Doping ◽  
Direct Band ◽  
Donor State

AbstractElectronic properties of the n-doping--insulator--p-doping--insulator structures in ultra thin strained [001] Si - Ge superlattice have been studied theoretically. The Ge - layer is used as one of the insulating region. The Al and As atoms are treated as impurities. The superlattice ((Si)10 -(Ge)2) exhibits an indirect gap in reciprocal space and the staggered band alignment in real space. With doping, the samples show a direct band gap and staggered band alignment. The acceptor state is associated with the Al-Si bonding state, while the donor state is derived from the As s-like state. The separation of the charge carriers in the real space can be obtained.

B2N Monolayer: a Direct Band-Gap Semiconductor with High and Highly Anisotropic Carrier Mobility

Nanoscale ◽  
2021 ◽  
Author(s):  
Shuyi Lin ◽  
Yu Guo ◽  
Meiling Xu ◽  
Jijun Zhao ◽  
Yiwei Liang ◽  
...  
Keyword(s):  
Band Gap ◽  
Field Effect ◽  
Carrier Mobility ◽  
Field Effect Transistors ◽  
Two Dimensional ◽  
Planar Lattice ◽  
Direct Band Gap ◽  
Two Dimensional Materials ◽  
Direct Band

Two-dimensional materials with a planar lattice, a suitable direct band-gap, high and highly anisotropic carrier mobility are desirable for the development of advanced field-effect transistors. Here we predict three thermodynamically...

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