First-principles structural stability in the strontium–titanium–oxygen system

The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics ◽

10.1080/14786430500509047 ◽

2006 ◽

Vol 86 (15) ◽

pp. 2283-2292 ◽

Author(s):

O. Le Bacq ◽

E. Salinas ◽

A. Pisch ◽

C. Bernard ◽

A. Pasturel

Keyword(s):

Structural Stability ◽

First Principles ◽

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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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First-Principles Prediction of Two-Dimensional B3C2P3 and B2C4P2: Structural Stability, Fundamental Properties, and Renewable Energy Applications

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.1c00411 ◽

2021 ◽

pp. 3436-3442

Author(s):

Andrey A. Kistanov ◽

Stepan A. Shcherbinin ◽

Svetlana V. Ustiuzhanina ◽

Marko Huttula ◽

Wei Cao ◽

...

Keyword(s):

Renewable Energy ◽

Structural Stability ◽

First Principles ◽

Two Dimensional ◽

Energy Applications ◽

Fundamental Properties

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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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Structural stability of polymeric nitrogen: A first-principles investigation

The Journal of Chemical Physics ◽

10.1063/1.3290954 ◽

2010 ◽

Vol 132 (2) ◽

pp. 024502 ◽

Author(s):

Xiaoli Wang ◽

Fubo Tian ◽

Liancheng Wang ◽

Tian Cui ◽

Bingbing Liu ◽

...

Keyword(s):

Structural Stability ◽

First Principles ◽

Polymeric Nitrogen

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Structural stability, electronic and optical properties of MAX-phase ternary nitrides β-TM4AlN3 (TM = V, Nb, and Ta) using the first-principles explorations

Vacuum ◽

10.1016/j.vacuum.2021.110529 ◽

2021 ◽

Vol 193 ◽

pp. 110529

Author(s):

Yaoping Lu ◽

Ancang Yang ◽

Yonghua Duan ◽

Mingjun Peng

Keyword(s):

Optical Properties ◽

Structural Stability ◽

First Principles ◽

Max Phase ◽

Electronic And Optical Properties

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First-principles calculations of the structural stability of Fe2P

Journal of Physics Conference Series ◽

10.1088/1742-6596/215/1/012110 ◽

2010 ◽

Vol 215 ◽

pp. 012110 ◽

Author(s):

Xiang Wu ◽

Shan Qin

Keyword(s):

Structural Stability ◽

First Principles ◽

First Principles Calculations

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Structural stability and elastic constants of precipitate phases of Mg-5%Al alloy with combined Ca and Sr addition from first-principles calculations

Proceedings of the 2016 5th International Conference on Environment, Materials, Chemistry and Power Electronics ◽

10.2991/emcpe-16.2016.133 ◽

2016 ◽

Author(s):

Suqin Luo ◽

Aitao Tang ◽

WeiWei Du ◽

Bin Jiang ◽

Hanwu Dong ◽

...

Keyword(s):

Structural Stability ◽

Elastic Constants ◽

First Principles ◽

Al Alloy ◽

First Principles Calculations

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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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Structural stability, elastic and thermodynamic properties of Au–Cu alloys from first-principles calculations

Physica B Condensed Matter ◽

10.1016/j.physb.2018.01.003 ◽

2018 ◽

Vol 533 ◽

pp. 58-62 ◽

Author(s):

Ge-Xing Kong ◽

Xiao-Juan Ma ◽

Qi-Jun Liu ◽

Yong Li ◽

Zheng-Tang Liu

Keyword(s):

Thermodynamic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Calculations ◽

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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 ◽

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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