First-Principles Study of Biaxial Strain Effect on Hydrogen Adsorbed Mg (0001) Surface

Jia-Jun Tang; Xiao-Bao Yang; Ming Chen; Min Zhu; Yu-Jun Zhao

doi:10.1021/jp303480c

First-Principles Study of Biaxial Strain Effect on Hydrogen Adsorbed Mg (0001) Surface

The Journal of Physical Chemistry C ◽

10.1021/jp303480c ◽

2012 ◽

Vol 116 (28) ◽

pp. 14943-14949 ◽

Cited By ~ 19

Author(s):

Jia-Jun Tang ◽

Xiao-Bao Yang ◽

Ming Chen ◽

Min Zhu ◽

Yu-Jun Zhao

Keyword(s):

First Principles ◽

Strain Effect ◽

Biaxial Strain ◽

First Principles Study

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Biaxial strain effect on the electronic and magnetic phase transitions in double perovskite La2FeMnO6: A first-principles study

Journal of Applied Physics ◽

10.1063/1.4818321 ◽

2013 ◽

Vol 114 (6) ◽

pp. 063713 ◽

Cited By ~ 10

Author(s):

Yan Qian ◽

Haiping Wu ◽

ErJun Kan ◽

Jian Lu ◽

Ruifeng Lu ◽

...

Keyword(s):

Phase Transitions ◽

First Principles ◽

Magnetic Phase ◽

Double Perovskite ◽

Magnetic Phase Transitions ◽

Strain Effect ◽

Biaxial Strain ◽

First Principles Study

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First-principles study of biaxial strain effect on NH3 adsorbed Ti2CO2 monolayer

Vacuum ◽

10.1016/j.vacuum.2020.109574 ◽

2020 ◽

Vol 179 ◽

pp. 109574 ◽

Cited By ~ 1

Author(s):

Xiao-Hong Li ◽

Hong-Ling Cui ◽

Rui-Zhou Zhang ◽

Shan-Shan Li

Keyword(s):

First Principles ◽

Strain Effect ◽

Biaxial Strain ◽

First Principles Study

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Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Cited By ~ 1

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽

10.1063/1.4936636 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117147 ◽

Cited By ~ 22

Author(s):

Do Duc Cuong ◽

S. H. Rhim ◽

Joo-Hyong Lee ◽

Soon Cheol Hong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Strain Effect ◽

First Principles Study

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Thermoelectric performance of silicene under uniform biaxial strain: A first principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2021.106944 ◽

2021 ◽

pp. 106944

Author(s):

Neelsh Gupta ◽

Rekha Verma

Keyword(s):

First Principles ◽

Thermoelectric Performance ◽

Biaxial Strain ◽

First Principles Study

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First-principles study of strain effect on elastic and optical properties and lattice thermal conductivity of Janus ZrBrCl monolayer

Materials Today Communications ◽

10.1016/j.mtcomm.2020.101995 ◽

2021 ◽

Vol 26 ◽

pp. 101995

Author(s):

Min Xiong ◽

Zhi-Yong Chen ◽

Cui-E Hu ◽

Yan Cheng ◽

Hua-Yun Geng

Keyword(s):

Thermal Conductivity ◽

Optical Properties ◽

First Principles ◽

Lattice Thermal Conductivity ◽

Strain Effect ◽

First Principles Study

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First-principles study of square phase MX2 and Janus MXY (M=Mo, W; X, Y=S, Se, Te) transition metal dichalcogenide monolayers under biaxial strain

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2019.02.009 ◽

2019 ◽

Vol 110 ◽

pp. 134-139 ◽

Cited By ~ 14

Author(s):

Yunzhen Zhang ◽

Han Ye ◽

Zhongyuan Yu ◽

Yumin Liu ◽

Yinfeng Li

Keyword(s):

Transition Metal ◽

First Principles ◽

Transition Metal Dichalcogenide ◽

Biaxial Strain ◽

First Principles Study

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First principles study of single-layer SnSe2 under biaxial strain and electric field: Modulation of electronic properties

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2019.03.025 ◽

2019 ◽

Vol 111 ◽

pp. 201-205 ◽

Cited By ~ 19

Author(s):

Nguyen D. Hien ◽

Nguyen Q. Cuong ◽

Le M. Bui ◽

Pham C. Dinh ◽

Chuong V. Nguyen ◽

...

Keyword(s):

Electric Field ◽

Electronic Properties ◽

First Principles ◽

Single Layer ◽

Biaxial Strain ◽

First Principles Study ◽

Field Modulation

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No-monotonic strain effect on the thermal conductivity of blue phosphorene: A first-principles study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2020.114341 ◽

2020 ◽

Vol 124 ◽

pp. 114341

Author(s):

Hongpeng Zhu

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

Strain Effect ◽

First Principles Study ◽

Blue Phosphorene

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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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