The mechanism of structure phase transition from α Fe to ε Fe under uniaxial strain: First-principles calculations

Lu Zhi-Peng;  Zhu Wen-Jun;  Lu Tie-Cheng;  Liu Shao-Jun;  Cui Xin-Lin;  Chen Xiang-Rong

doi:10.7498/aps.59.4303

The mechanism of structure phase transition from α Fe to ε Fe under uniaxial strain: First-principles calculations

Acta Physica Sinica ◽

10.7498/aps.59.4303 ◽

2010 ◽

Vol 59 (6) ◽

pp. 4303

Author(s):

Lu Zhi-Peng ◽

Zhu Wen-Jun ◽

Lu Tie-Cheng ◽

Liu Shao-Jun ◽

Cui Xin-Lin ◽

...

Keyword(s):

Phase Transition ◽

First Principles ◽

Uniaxial Strain ◽

First Principles Calculations ◽

Structure Phase ◽

Structure Phase Transition

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First-principles calculations of the electronic structure, phase transition and properties of ZrSiO4 polymorphs

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.03.033 ◽

2012 ◽

Vol 987 ◽

pp. 62-70 ◽

Cited By ~ 15

Author(s):

Jincheng Du ◽

Ram Devanathan ◽

L. René Corrales ◽

William J. Weber

Keyword(s):

Phase Transition ◽

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

Structure Phase ◽

Structure Phase Transition

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The effect of local ordering on the structure phase transition in disordered KTa1/2Nb1/2O3 from first principles studies

Computational Materials Science ◽

10.1016/j.commatsci.2007.08.004 ◽

2008 ◽

Vol 42 (3) ◽

pp. 434-438 ◽

Cited By ~ 7

Author(s):

Yanqing Shen ◽

Zhongxiang Zhou

Keyword(s):

Phase Transition ◽

First Principles ◽

Local Ordering ◽

Structure Phase ◽

Structure Phase Transition

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First-principles study of high pressure structure phase transition and elastic properties of titanium

Solid State Sciences ◽

10.1016/j.solidstatesciences.2010.06.010 ◽

2010 ◽

Vol 12 (8) ◽

pp. 1473-1479 ◽

Cited By ~ 29

Author(s):

YanJun Hao ◽

Jun Zhu ◽

Lin Zhang ◽

JianYing Qu ◽

HaiSheng Ren

Keyword(s):

Phase Transition ◽

High Pressure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study ◽

Structure Phase ◽

Structure Phase Transition

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Structure phase transition and elastic properties of hafnium: First-principles study

Philosophical Magazine Letters ◽

10.1080/09500839.2010.529087 ◽

2011 ◽

Vol 91 (1) ◽

pp. 61-69 ◽

Cited By ~ 14

Author(s):

YanJun Hao ◽

Jun Zhu ◽

Lin Zhang ◽

HaiSheng Ren ◽

JianYing Qu

Keyword(s):

Phase Transition ◽

Elastic Properties ◽

First Principles ◽

First Principles Study ◽

Structure Phase ◽

Structure Phase Transition

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Band structure, phase transition, phonon and elastic instabilities in calcium polonide under pressure: A first-principles study

Solid State Communications ◽

10.1016/j.ssc.2012.08.028 ◽

2012 ◽

Vol 152 (22) ◽

pp. 2058-2062 ◽

Cited By ~ 10

Author(s):

Liwei Shi ◽

Ling Wu ◽

Yifeng Duan ◽

Lanzhong Hao ◽

Jing Hu ◽

...

Keyword(s):

Phase Transition ◽

Band Structure ◽

First Principles ◽

First Principles Study ◽

Elastic Instabilities ◽

Structure Phase ◽

Structure Phase Transition

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Structure, Phase Transition, and Electronic Properties of K1−x Na x NbO3 Solid Solutions from First-Principles Theory

Journal of the American Ceramic Society ◽

10.1111/jace.13188 ◽

2014 ◽

Vol 97 (12) ◽

pp. 4019-4023 ◽

Cited By ~ 15

Author(s):

Shi-Yu Liu ◽

Shiyang Liu ◽

De-Jun Li ◽

Yaogen Shen ◽

Hongli Dang ◽

...

Keyword(s):

Phase Transition ◽

Electronic Properties ◽

Solid Solutions ◽

First Principles ◽

Structure Phase ◽

Structure Phase Transition

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Domain structure, phase transition and dielectric properties of ferroelastics of the NaFe(MoO4)2type

Ferroelectrics ◽

10.1080/00150197808237335 ◽

1978 ◽

Vol 21 (1) ◽

pp. 579-581 ◽

Cited By ~ 5

Author(s):

E. V. Sinyakov ◽

E. F. Dudnik ◽

T. M. Stolpakova ◽

O. L. Orlov

Keyword(s):

Phase Transition ◽

Dielectric Properties ◽

Domain Structure ◽

Structure Phase ◽

Structure Phase Transition

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Retraction Note to: The effect of the electronic structure, phase transition, and localized dynamics of atoms in the formation of tiny particles of gold

Journal of Nanoparticle Research ◽

10.1007/s11051-017-3961-0 ◽

2017 ◽

Vol 19 (9) ◽

Author(s):

Mubarak Ali ◽

I-Nan Lin

Keyword(s):

Phase Transition ◽

Electronic Structure ◽

Structure Phase ◽

Structure Phase Transition

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Ferroelectric Phase Transition and Material Property Studies Using State-of-the-Art First-Principles Calculations

Nihon Kessho Gakkaishi ◽

10.5940/jcrsj.54.226 ◽

2012 ◽

Vol 54 (4) ◽

pp. 226-231

Author(s):

Hiroki MORIWAKE

Keyword(s):

Phase Transition ◽

Material Property ◽

First Principles ◽

Ferroelectric Phase Transition ◽

Ferroelectric Phase ◽

State Of The Art ◽

First Principles Calculations

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The structure, phase transition and molecular dynamics of [C(NH2)3]3[Sb2Br9]

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/17/15/021 ◽

2005 ◽

Vol 17 (15) ◽

pp. 2509-2528 ◽

Cited By ~ 10

Author(s):

P Szklarz ◽

J Zaleski ◽

R Jakubas ◽

G Bator ◽

W Medycki ◽

...

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Structure Phase ◽

Structure Phase Transition

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