First principles study of the electronic properties of a Ni3(2,3,6,7,10,11-hexaaminotriphenylene)2 monolayer under biaxial strain

The electronic properties of a 2D π-conjugated Ni3(HITP)2 monolayer change from semi-conductive to metallic due to charge redistribution under biaxial strain.

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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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Electronic properties of WS2 and WSe2 monolayers with biaxial strain: A first-principles study

Chemical Physics ◽

10.1016/j.chemphys.2018.12.004 ◽

2019 ◽

Vol 519 ◽

pp. 69-73 ◽

Cited By ~ 16

Author(s):

Do Muoi ◽

Nguyen N. Hieu ◽

Huong T.T. Phung ◽

Huynh V. Phuc ◽

B. Amin ◽

...

Keyword(s):

Electronic Properties ◽

First Principles ◽

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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First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

Japanese Journal of Applied Physics ◽

10.7567/1347-4065/ab06b2 ◽

2019 ◽

Vol 58 (SC) ◽

pp. SCCB35 ◽

Cited By ~ 1

Author(s):

Tomoe Yayama ◽

Anh Khoa Augustin Lu ◽

Tetsuya Morishita ◽

Takeshi Nakanishi

Keyword(s):

Temperature Effect ◽

Electronic Properties ◽

First Principles ◽

Two Dimensional ◽

First Principles Study

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Mechanical and electronic properties of 2D black phosphorene nanoribbons: A first-principles study

IOP Conference Series Earth and Environmental Science ◽

10.1088/1755-1315/702/1/012022 ◽

2021 ◽

Vol 702 (1) ◽

pp. 012022

Author(s):

Yufei Miao ◽

Luwu He

Keyword(s):

Electronic Properties ◽

First Principles ◽

First Principles Study ◽

Black Phosphorene

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Geometric, electronic properties of Au$_l$Pt$_m$ ($l$+$m$$\leqslant$10) clusters: A first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp05642a ◽

2021 ◽

Author(s):

Wei-Feng Xie ◽

Hao-Ran Zhu ◽

Shi-Hao Wei

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

First Principles ◽

Density Functional ◽

Inverse Design ◽

Functional Theory ◽

First Principles Study

The structural evolutions and electronic properties of Au$_l$Pt$_m$ ($l$+$m$$\leqslant$10) clusters are investigated by using the first$-$principles methods based on density functional theory (DFT). We use Inverse design of materials by...

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