Temperature-induced phase transitions in the rock-salt type SiC: a first-principles study

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/ab2dc8 ◽

2019 ◽

Vol 31 (40) ◽

pp. 405401 ◽

Author(s):

V I Ivashchenko ◽

P E A Turchi ◽

Leonid Gorb ◽

Jerzy Leszczynski ◽

N R Medukh ◽

...

Keyword(s):

Phase Transitions ◽

Rock Salt ◽

First Principles ◽

First Principles Study

Download Full-text

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 ◽

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

Elastic, thermochemical and thermophysical properties of rock salt-type transition metal carbides and nitrides: A first principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2013.10.156 ◽

2014 ◽

Vol 587 ◽

pp. 380-386 ◽

Author(s):

G. Sai Gautam ◽

K.C. Hari Kumar

Keyword(s):

Transition Metal ◽

Rock Salt ◽

Thermophysical Properties ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

Type Transition ◽

First Principles Study

Download Full-text

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

Download Full-text

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

Download Full-text

First-principles study on lattice instabilities and structural phase transitions in Ba doped La2CuO4

Physica C Superconductivity ◽

10.1016/j.physc.2015.07.001 ◽

2015 ◽

Vol 517 ◽

pp. 20-25 ◽

Author(s):

Ali Tavana ◽

Mohammad Akhavan ◽

Claudia Draxl

Keyword(s):

Phase Transitions ◽

First Principles ◽

Structural Phase ◽

Structural Phase Transitions ◽

First Principles Study

Download Full-text

Thermodynamic properties of MgSiO3majorite and phase transitions near 660 km depth in MgSiO3and Mg2SiO4: A first principles study

Journal of Geophysical Research Atmospheres ◽

10.1029/2010jb007912 ◽

2011 ◽

Vol 116 (B2) ◽

Author(s):

Yonggang G. Yu ◽

Renata M. Wentzcovitch ◽

Victor L. Vinograd ◽

Ross J. Angel

Keyword(s):

Phase Transitions ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Study

Download Full-text