Stability of the V and Co atomic wires: a first-principles study

Shu-Lan Liu; Bao-Ru Wang; Qing-Min Ma; Zun Xie

doi:10.1039/c8ra07895e

Stability of the V and Co atomic wires: a first-principles study

RSC Advances ◽

10.1039/c8ra07895e ◽

2018 ◽

Vol 8 (72) ◽

pp. 41552-41560

Author(s):

Shu-Lan Liu ◽

Bao-Ru Wang ◽

Qing-Min Ma ◽

Zun Xie

Keyword(s):

Dft Calculations ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

Atomic Wires ◽

Electromagnetic Characteristics

We employ DFT calculations with the PAW method to investigate the structural stability and electromagnetic characteristics of two infinite atomic wires made of vanadium (V) and cobalt (Co).

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First-principles study of high-pressure structural stability and mechanical properties of Ni2B

Computational Materials Science ◽

10.1016/j.commatsci.2021.110465 ◽

2021 ◽

Vol 194 ◽

pp. 110465

Author(s):

Menglong Wang ◽

Jialing Xie ◽

Keying Xue ◽

Lingxia Li

Keyword(s):

Mechanical Properties ◽

High Pressure ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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Cluster-Model-Embedded First-Principles Study on Structural Stability of Body-Centered-Cubic-Based Ti-Zr-Hf-Nb Refractory High-Entropy Alloys

Journal of Phase Equilibria and Diffusion ◽

10.1007/s11669-021-00899-5 ◽

2021 ◽

Author(s):

Junhao Yuan ◽

Yufeng Liu ◽

Zhen Li ◽

Mingkang Wang ◽

Qing Wang ◽

...

Keyword(s):

Structural Stability ◽

First Principles ◽

Cluster Model ◽

High Entropy Alloys ◽

Body Centered Cubic ◽

High Entropy ◽

First Principles Study

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First Principles Study of Structural Stability and Electronic Structure of 4d Transition Metal Carbides TMC2 (TM= Ru, Rh, Pd)

IOSR Journal of Applied Physics ◽

10.9790/4861-17002023841 ◽

2017 ◽

Vol 02 (01) ◽

pp. 38-41

Author(s):

M. Manikandan ◽

M. Santhosh ◽

A. Amudhavalli ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Structural Stability ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

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The Structural Stability and Mechanical Properties of $$\hbox {Cu}_{2}\hbox {MnAl}$$ Cu 2 MnAl and $$\hbox {Cu}_{2}\hbox {MnIn}$$ Cu 2 MnIn Under Pressure: First-Principles Study

Journal of Electronic Materials ◽

10.1007/s11664-018-6163-3 ◽

2018 ◽

Vol 47 (5) ◽

pp. 3005-3017 ◽

Cited By ~ 1

Author(s):

Lili Liu ◽

Xianshi Zeng ◽

Qingdong Gou ◽

Yuanxiu Ye ◽

Yufeng Wen ◽

...

Keyword(s):

Mechanical Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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First-principles study of the alloying effects on the structural stability and mechanical properties of L12-Pt3Hf

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2021.161982 ◽

2021 ◽

pp. 161982

Author(s):

Xin Yao ◽

Yong Mao ◽

Ya-Fang Guo

Keyword(s):

Mechanical Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

Alloying Effects

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First-principles study of Helium in austenitic Fe 6.3 at.% Cr alloys: structural, stability, energetics, and clustering with vacancies

Materials Today Communications ◽

10.1016/j.mtcomm.2021.102837 ◽

2021 ◽

pp. 102837

Author(s):

Lei Wan ◽

Xiaoqiu Ye ◽

Xingzhong Cao ◽

Shuoxue Jin ◽

Tao Gao

Keyword(s):

Structural Stability ◽

First Principles ◽

First Principles Study

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First-principles study of coadsorption of Cu2+ and Cl− ions on the Cu (110) surface

RSC Advances ◽

10.1039/c9ra10072e ◽

2020 ◽

Vol 10 (14) ◽

pp. 8212-8217

Author(s):

Khoong Hong Khoo ◽

Bharathi Madurai Srinivasan ◽

Ramanarayan Hariharaputran ◽

Chaitanya Amol Joshi ◽

David Wu Tai-Yen ◽

...

Keyword(s):

Free Energy ◽

Dft Calculations ◽

First Principles ◽

Electrode Potential ◽

Free Energy Of Adsorption ◽

First Principles Study

Free energy of adsorption for the most stable phases predicted by DFT calculations as a function of electrode potential.

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Structural stability, electronic structures, mechanical properties and debye temperature of W-Re alloys: A first-principles study

Fusion Engineering and Design ◽

10.1016/j.fusengdes.2020.112081 ◽

2021 ◽

Vol 162 ◽

pp. 112081

Author(s):

Diyou Jiang ◽

Wenbo Xiao ◽

Desheng Liu ◽

Sanqiu Liu

Keyword(s):

Mechanical Properties ◽

Debye Temperature ◽

Structural Stability ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

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First principles study of Al-doped graphene as nanostructure adsorbent for NO2 and N2O: DFT calculations

Applied Surface Science ◽

10.1016/j.apsusc.2015.09.168 ◽

2015 ◽

Vol 357 ◽

pp. 1217-1224 ◽

Cited By ~ 102

Author(s):

Ali Shokuhi Rad

Keyword(s):

Dft Calculations ◽

First Principles ◽

First Principles Study ◽

Doped Graphene

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First-principles study of structural stability, elastic and electronic properties of ternary rare earth-transition metal—Borides and carbides (RTxZ, R=Sc, Y, and La, T=Pt and Pd, Z=B and C, and x=2, 3, and 4)

Physica B Condensed Matter ◽

10.1016/j.physb.2013.08.031 ◽

2013 ◽

Vol 431 ◽

pp. 58-68 ◽

Cited By ~ 1

Author(s):

Tiankai Yao ◽

Yachun Wang ◽

Hui Li ◽

Jie Lian ◽

Jingwu Zhang ◽

...

Keyword(s):

Rare Earth ◽

Transition Metal ◽

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

Metal Borides

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