Phonon instabilities leading to structural phase transition in YN and YP: A first-principles study

The structural phase transition, electronic properties, and bonding properties of antimony nitrides have been studied by using a first principles method.

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Electronic properties and structural phase transition in A4 [M4O4] (A=Li, Na, K and Rb; M=Ag and Cu): A first principles study

Solid State Communications ◽

10.1016/j.ssc.2012.10.016 ◽

2013 ◽

Vol 155 ◽

pp. 62-68 ◽

Cited By ~ 8

Author(s):

R. Umamaheswari ◽

M. Yogeswari ◽

G. Kalpana

Keyword(s):

Phase Transition ◽

Electronic Properties ◽

Structural Phase Transition ◽

First Principles ◽

Structural Phase ◽

First Principles Study

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Structural phase transition and elastic properties of hafnium dihydride: A first principles study

10.1063/1.4872513 ◽

2014 ◽

Author(s):

M. Santhosh ◽

R. Rajeswarapalanichamy ◽

S. Kanagaprabha ◽

G. Sudhapriyanga ◽

A. Murugan ◽

...

Keyword(s):

Phase Transition ◽

Elastic Properties ◽

Structural Phase Transition ◽

First Principles ◽

Structural Phase ◽

First Principles Study

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First-principles study of structural phase transition, electronic, elastic and thermodynamic properties of C15-type Laves phase TiCr 2 under pressure

Physica B Condensed Matter ◽

10.1016/j.physb.2017.11.051 ◽

2018 ◽

Vol 531 ◽

pp. 79-84 ◽

Cited By ~ 2

Author(s):

Li-Zhi He ◽

Jun Zhu ◽

Lin Zhang

Keyword(s):

Phase Transition ◽

Thermodynamic Properties ◽

Structural Phase Transition ◽

First Principles ◽

Structural Phase ◽

Laves Phase ◽

First Principles Study

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First principles study of pressure induced structural phase transition in hydrogen storage material—MgH2

Physica B Condensed Matter ◽

10.1016/j.physb.2011.09.118 ◽

2012 ◽

Vol 407 (1) ◽

pp. 54-59 ◽

Cited By ~ 10

Author(s):

S. Kanagaprabha ◽

A.T. Asvinimeenaatci ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

Phase Transition ◽

Hydrogen Storage ◽

Structural Phase Transition ◽

First Principles ◽

Structural Phase ◽

Hydrogen Storage Material ◽

Storage Material ◽

First Principles Study

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First-principles study of the structural phase transition process of solid nitrogen under pressure

Journal of Molecular Modeling ◽

10.1007/s00894-021-04919-6 ◽

2021 ◽

Vol 27 (10) ◽

Author(s):

Zhi-Xin Bai ◽

Cheng-Lu Jiang ◽

Sheng-Hai Zhu ◽

Mi Zhong ◽

Ming-Jian Zhang ◽

...

Keyword(s):

Phase Transition ◽

Structural Phase Transition ◽

First Principles ◽

Structural Phase ◽

Transition Process ◽

First Principles Study ◽

Solid Nitrogen ◽

Phase Transition Process

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First-principles Study of Structural Phase Transition of Sn

Journal of the Korean Physical Society ◽

10.3938/jkps.56.494 ◽

2010 ◽

Vol 56 (1(2)) ◽

pp. 494-497 ◽

Cited By ~ 11

Author(s):

Sung-Ho Na

Keyword(s):

Phase Transition ◽

Structural Phase Transition ◽

First Principles ◽

Structural Phase ◽

First Principles Study

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Pressure induced structural phase transition in solid oxidizer KClO3: A first-principles study

The Journal of Chemical Physics ◽

10.1063/1.4802722 ◽

2013 ◽

Vol 138 (17) ◽

pp. 174701 ◽

Cited By ~ 14

Author(s):

N. Yedukondalu ◽

Vikas D. Ghule ◽

G. Vaitheeswaran

Keyword(s):

Phase Transition ◽

Structural Phase Transition ◽

First Principles ◽

Structural Phase ◽

First Principles Study

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Negative linear compressibility and structural phase transition in energetic silver azide under pressure: A first principles study

Solid State Communications ◽

10.1016/j.ssc.2019.05.006 ◽

2019 ◽

Vol 297 ◽

pp. 39-44 ◽

Cited By ~ 3

Author(s):

N. Yedukondalu ◽

G. Vaitheeswaran ◽

P. Modak ◽

Ashok K. Verma

Keyword(s):

Phase Transition ◽

Structural Phase Transition ◽

First Principles ◽

Structural Phase ◽

Silver Azide ◽

First Principles Study ◽

Linear Compressibility

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First principles study on structural, phase transition and electronic structure of Zinc Sulfide (ZnS) within LDA, GGA and mBJ potential

Journal of Physics Conference Series ◽

10.1088/1742-6596/759/1/012029 ◽

2016 ◽

Vol 759 ◽

pp. 012029 ◽

Cited By ~ 2

Author(s):

Kh. Kabita ◽

B. Indrajit Sharma

Keyword(s):

Phase Transition ◽

Electronic Structure ◽

Zinc Sulfide ◽

Structural Phase Transition ◽

First Principles ◽

Structural Phase ◽

First Principles Study

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