A first-principles study of phase transitions in ultrathin films of BaTiO3

Pramana ◽

10.1007/s12043-008-0045-9 ◽

2008 ◽

Vol 70 (2) ◽

pp. 263-270 ◽

Author(s):

J. Paul ◽

T. Nishimatsu ◽

Y. Kawazoe ◽

U. V. Waghmare

Keyword(s):

Phase Transitions ◽

Ultrathin Films ◽

First Principles ◽

First Principles Study

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Spin-phonon coupling and high-pressure phase transitions ofRMnO3(R=Caand Pr): An inelastic neutron scattering and first-principles study

Physical Review B ◽

10.1103/physrevb.93.214306 ◽

2016 ◽

Vol 93 (21) ◽

Author(s):

S. K. Mishra ◽

M. K. Gupta ◽

R. Mittal ◽

A. I. Kolesnikov ◽

S. L. Chaplot

Keyword(s):

High Pressure ◽

Phase Transitions ◽

Neutron Scattering ◽

First Principles ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

High Pressure Phase ◽

Phonon Coupling ◽

First Principles Study ◽

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Diffuse phase transitions in ferroelectric ultrathin films from first principles

Physical Review B ◽

10.1103/physrevb.81.094119 ◽

2010 ◽

Vol 81 (9) ◽

Author(s):

S. Bin-Omran ◽

I. Kornev ◽

I. Ponomareva ◽

L. Bellaiche

Keyword(s):

Phase Transitions ◽

Ultrathin Films ◽

First Principles ◽

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Can we predict the structure and stability of molecular crystals under increased pressure? First-principles study of glycine phase transitions

Journal of Computational Chemistry ◽

10.1002/jcc.25198 ◽

2018 ◽

Vol 39 (19) ◽

pp. 1300-1306 ◽

Author(s):

Łukasz Szeleszczuk ◽

Dariusz Maciej Pisklak ◽

Monika Zielińska-Pisklak

Keyword(s):

Phase Transitions ◽

First Principles ◽

Molecular Crystals ◽

Structure And Stability ◽

First Principles Study ◽

Increased Pressure

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Prediction of structural and phase transitions of Th2CN from ambient pressure to 100 GPa: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2021.110980 ◽

2021 ◽

pp. 110980

Author(s):

Qian Qiu ◽

Zhiguang Liao ◽

Yongliang Guo ◽

Ping Huai ◽

Zhiyuan Zhu ◽

...

Keyword(s):

Phase Transitions ◽

First Principles ◽

Ambient Pressure ◽

First Principles Study

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First-principles study of pressure-induced phase transitions, mechanical and thermodynamic properties of ThBC

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/ac3103 ◽

2021 ◽

Author(s):

Jiacheng Sun ◽

Zhiguang Liao ◽

Yue Zhang ◽

Yongliang Guo ◽

Xuezhi Ke

Keyword(s):

Phase Transitions ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Study

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First-principles Study of Perovskite Ultrathin Films: Stability and Confinement Effects

Israel Journal of Chemistry ◽

10.1002/ijch.201600056 ◽

2016 ◽

Vol 57 (6) ◽

pp. 509-521 ◽

Author(s):

Marco Arrigoni ◽

Eugene A. Kotomin ◽

Joachim Maier

Keyword(s):

Ultrathin Films ◽

First Principles ◽

Confinement Effects ◽

First Principles Study

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First principles study of magnetic anisotropy and magnetoelectric effect of FePd/MgO(001) ultrathin films

Journal of Applied Physics ◽

10.1063/1.4793601 ◽

2013 ◽

Vol 113 (17) ◽

pp. 17C702 ◽

Author(s):

K. H. He ◽

J. S. Chen

Keyword(s):

Magnetic Anisotropy ◽

Ultrathin Films ◽

First Principles ◽

Magnetoelectric Effect ◽

First Principles Study

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First-Principles Study of Phase Transitions of Minerals in Super-Earths

The Review of High Pressure Science and Technology ◽

10.4131/jshpreview.27.205 ◽

2017 ◽

Vol 27 (3) ◽

pp. 205-212

Author(s):

Koichiro UMEMOTO

Keyword(s):

Phase Transitions ◽

First Principles ◽

First Principles Study

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Publisher's Note: Unusual sequence of phase transitions inMnAs: First-principles study [Phys. Rev. B74, 214422 (2006)]

Physical Review B ◽

10.1103/physrevb.75.019902 ◽

2007 ◽

Vol 75 (1) ◽

Author(s):

L. M. Sandratskii ◽

E. Şaşıoğlu

Keyword(s):

Phase Transitions ◽

First Principles ◽

First Principles Study

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Biaxial strain effect on the electronic and magnetic phase transitions in double perovskite La2FeMnO6: A first-principles study

Journal of Applied Physics ◽

10.1063/1.4818321 ◽

2013 ◽

Vol 114 (6) ◽

pp. 063713 ◽

Author(s):

Yan Qian ◽

Haiping Wu ◽

ErJun Kan ◽

Jian Lu ◽

Ruifeng Lu ◽

...

Keyword(s):

Phase Transitions ◽

First Principles ◽

Magnetic Phase ◽

Double Perovskite ◽

Magnetic Phase Transitions ◽

Strain Effect ◽

Biaxial Strain ◽

First Principles Study

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