The strain induced band gap modulation from narrow gap semiconductor to half-metal on Ti2CrGe: A first principles study

Jia Li; Zhidong Zhang; Zunming Lu; Hongxian Xie; Wei Fang; Shaomin Li; Chunyong Liang; Fuxing Yin

doi:10.1063/1.4936151

The strain induced band gap modulation from narrow gap semiconductor to half-metal on Ti2CrGe: A first principles study

AIP Advances ◽

10.1063/1.4936151 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117225 ◽

Cited By ~ 4

Author(s):

Jia Li ◽

Zhidong Zhang ◽

Zunming Lu ◽

Hongxian Xie ◽

Wei Fang ◽

...

Keyword(s):

Band Gap ◽

First Principles ◽

Narrow Gap ◽

First Principles Study ◽

Half Metal ◽

Band Gap Modulation

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Band gap modulation of mono and bi-layer hexagonal ZnS under transverse electric field and bi-axial strain: A first principles study

Physica B Condensed Matter ◽

10.1016/j.physb.2017.12.023 ◽

2018 ◽

Vol 531 ◽

pp. 90-94 ◽

Cited By ~ 11

Author(s):

D.P. Rai ◽

Sumandeep Kaur ◽

Sunita Srivastava

Keyword(s):

Electric Field ◽

Band Gap ◽

First Principles ◽

Transverse Electric ◽

Axial Strain ◽

Transverse Electric Field ◽

First Principles Study ◽

Band Gap Modulation

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Fine band gap modulation effects of aGNRs by an organic functional group: a first-principles study

Journal of Physics D Applied Physics ◽

10.1088/0022-3727/46/23/235101 ◽

2013 ◽

Vol 46 (23) ◽

pp. 235101 ◽

Cited By ~ 4

Author(s):

Nuo Liu ◽

Zheqi Zheng ◽

Yongxin Yao ◽

Guiping Zhang ◽

Ning Lu ◽

...

Keyword(s):

Band Gap ◽

First Principles ◽

Functional Group ◽

Organic Functional Group ◽

First Principles Study ◽

Group A ◽

Band Gap Modulation

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Band gap modulation of ZrX2 (X = S, Se, Te) mono-layers under biaxial strain and transverse electric field and its lattice dynamic properties: a first principles study

Materials Research Express ◽

10.1088/2053-1591/aaf774 ◽

2018 ◽

Vol 6 (3) ◽

pp. 036308 ◽

Cited By ~ 1

Author(s):

Sohail Ahmad ◽

Ransell D’Souza ◽

Sugata Mukherjee

Keyword(s):

Electric Field ◽

Band Gap ◽

First Principles ◽

Transverse Electric ◽

Dynamic Properties ◽

Lattice Dynamic ◽

Transverse Electric Field ◽

Biaxial Strain ◽

First Principles Study ◽

Band Gap Modulation

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Band gap modulation of graphene by metal substrate: A first principles study

10.1063/1.5028962 ◽

2018 ◽

Author(s):

Mihir Ranjan Sahoo ◽

Sivabrata Sahu ◽

Anoop Kumar Kushwaha ◽

S. K. Nayak

Keyword(s):

Band Gap ◽

First Principles ◽

Metal Substrate ◽

First Principles Study ◽

Band Gap Modulation

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First principles study of the electronic properties and band gap modulation of two-dimensional phosphorene monolayer: Effect of strain engineering

Superlattices and Microstructures ◽

10.1016/j.spmi.2018.04.018 ◽

2018 ◽

Vol 118 ◽

pp. 289-297 ◽

Cited By ~ 8

Author(s):

Huynh V. Phuc ◽

Nguyen N. Hieu ◽

Victor V. Ilyasov ◽

Le T.T. Phuong ◽

Chuong V. Nguyen

Keyword(s):

Band Gap ◽

Electronic Properties ◽

First Principles ◽

Strain Engineering ◽

Two Dimensional ◽

First Principles Study ◽

Band Gap Modulation

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Tunability of Structure, Polarization, and Band Gap of High TC Organic–Inorganic Ferroelectrics by Hydrostatic Pressure: First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c03980 ◽

2021 ◽

Author(s):

P. S. Ghosh ◽

J. Doherty ◽

S. Lisenkov ◽

I. Ponomareva

Keyword(s):

Hydrostatic Pressure ◽

Band Gap ◽

First Principles ◽

High Tc ◽

First Principles Study

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Band-gap formation in(n,0)single-walled carbon nanotubes(n=9,12,15,18): A first-principles study

Physical Review B ◽

10.1103/physrevb.72.073404 ◽

2005 ◽

Vol 72 (7) ◽

Cited By ~ 43

Author(s):

Takashi Miyake ◽

Susumu Saito

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Gap Formation ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Corrigendum to “Hybridization versus sublattice symmetry breaking in the band gap opening in graphene on Ni(111): A first-principles study” [Surface Science 700 (2020) 121651]

Surface Science ◽

10.1016/j.susc.2020.121719 ◽

2020 ◽

Vol 702 ◽

pp. 121719

Author(s):

Kazume Nishidate ◽

Satoru Tanibayashi ◽

Michiaki Matsukawa ◽

Masayuki Hasegawa

Keyword(s):

Symmetry Breaking ◽

Band Gap ◽

Surface Science ◽

First Principles ◽

First Principles Study ◽

Gap Opening

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Transition from indirect to direct band gap in SiC monolayer by chemical functionalization: A first principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2019.106320 ◽

2020 ◽

Vol 137 ◽

pp. 106320 ◽

Cited By ~ 6

Author(s):

D.M. Hoat ◽

Mosayeb Naseri ◽

Nguyen N. Hieu ◽

R. Ponce-Pérez ◽

J.F. Rivas-Silva ◽

...

Keyword(s):

Band Gap ◽

First Principles ◽

Chemical Functionalization ◽

Direct Band Gap ◽

First Principles Study ◽

Direct Band

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Band gap engineering of FeS2 under biaxial strain: a first principles study

Physical Chemistry Chemical Physics ◽

10.1039/c4cp03453h ◽

2014 ◽

Vol 16 (44) ◽

pp. 24466-24472 ◽

Cited By ~ 25

Author(s):

Pin Xiao ◽

Xiao-Li Fan ◽

Li-Min Liu ◽

Woon-Ming Lau

Keyword(s):

Band Gap ◽

First Principles ◽

Tensile Strain ◽

Biaxial Strain ◽

Band Gap Engineering ◽

First Principles Study ◽

Maximum Value

The band gap increases with increasing tensile strain to its maximum value at 6% strain and then decreases.

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