Isotope effect in the superconducting high-pressure simple cubic phase of calcium from first principles

Ion Errea; Bruno Rousseau; Aitor Bergara

doi:10.1063/1.4726161

Isotope effect in the superconducting high-pressure simple cubic phase of calcium from first principles

Journal of Applied Physics ◽

10.1063/1.4726161 ◽

2012 ◽

Vol 111 (11) ◽

pp. 112604 ◽

Cited By ~ 5

Author(s):

Ion Errea ◽

Bruno Rousseau ◽

Aitor Bergara

Keyword(s):

High Pressure ◽

Isotope Effect ◽

First Principles ◽

Cubic Phase ◽

Simple Cubic

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First-principles high pressure structure searching, longitudinal-transverse mode coupling and absence of simple cubic phase in sulfur

New Journal of Physics ◽

10.1088/1367-2630/ab6068 ◽

2020 ◽

Vol 22 (2) ◽

pp. 023020

Author(s):

Jack Whaley-Baldwin ◽

Richard Needs

Keyword(s):

High Pressure ◽

First Principles ◽

Mode Coupling ◽

Transverse Mode ◽

Cubic Phase ◽

Simple Cubic

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First-principles study of A7 to simple cubic phase transformation in As

Physica B Condensed Matter ◽

10.1016/j.physb.2007.06.015 ◽

2007 ◽

Vol 400 (1-2) ◽

pp. 22-25 ◽

Cited By ~ 6

Author(s):

Wenxia Feng ◽

Shouxin Cui ◽

Haiquan Hu ◽

Hong Liu

Keyword(s):

Phase Transformation ◽

First Principles ◽

Cubic Phase ◽

First Principles Study ◽

Simple Cubic

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First-Principles Molecular Dynamics Simulation for Calcium under High-Pressure: Thermodynamic Effect on Simple Cubic Structure

Journal of the Physical Society of Japan ◽

10.1143/jpsj.81.124601 ◽

2012 ◽

Vol 81 (12) ◽

pp. 124601 ◽

Cited By ~ 1

Author(s):

Takahiro Ishikawa ◽

Hitose Nagara ◽

Naoshi Suzuki ◽

Katsuya Shimizu

Keyword(s):

Molecular Dynamics ◽

High Pressure ◽

Molecular Dynamics Simulation ◽

First Principles ◽

Dynamics Simulation ◽

Simple Cubic ◽

Thermodynamic Effect ◽

Cubic Structure ◽

First Principles Molecular Dynamics

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Stability of simple cubic calcium at high pressure: A first-principles study

Physical Review B ◽

10.1103/physrevb.82.094107 ◽

2010 ◽

Vol 82 (9) ◽

Cited By ~ 20

Author(s):

Yansun Yao ◽

Roman Martoňák ◽

Serguei Patchkovskii ◽

Dennis D. Klug

Keyword(s):

High Pressure ◽

First Principles ◽

First Principles Study ◽

Simple Cubic

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Theoretical Confirmation of the High Pressure Simple Cubic Phase in Calcium

Physical Review Letters ◽

10.1103/physrevlett.75.3473 ◽

1995 ◽

Vol 75 (19) ◽

pp. 3473-3476 ◽

Cited By ~ 62

Author(s):

Rajeev Ahuja ◽

Olle Eriksson ◽

J. M. Wills ◽

Börje Johansson

Keyword(s):

High Pressure ◽

Cubic Phase ◽

Simple Cubic

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Anharmonic Stabilization of the High-Pressure Simple Cubic Phase of Calcium

Physical Review Letters ◽

10.1103/physrevlett.106.165501 ◽

2011 ◽

Vol 106 (16) ◽

Cited By ~ 49

Author(s):

Ion Errea ◽

Bruno Rousseau ◽

Aitor Bergara

Keyword(s):

High Pressure ◽

Cubic Phase ◽

Simple Cubic

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High pressure core electron spectroscopy in 111 Fe-based superconducting materials: A first principles study

Computational Materials Science ◽

10.1016/j.commatsci.2021.110316 ◽

2021 ◽

Vol 192 ◽

pp. 110316

Author(s):

Soumyadeep Ghosh ◽

Haranath Ghosh

Keyword(s):

High Pressure ◽

First Principles ◽

Electron Spectroscopy ◽

Superconducting Materials ◽

Core Electron ◽

First Principles Study

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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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Role of dislocations in the bcc-hcp transition under high pressure: A first-principles approach in beryllium

Physical Review Materials ◽

10.1103/physrevmaterials.4.063609 ◽

2020 ◽

Vol 4 (6) ◽

Author(s):

Vanessa Riffet ◽

Bernard Amadon ◽

Nicolas Bruzy ◽

Christophe Denoual

Keyword(s):

High Pressure ◽

First Principles

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High-pressure structural phase transition and metallization in Ga2S3 under non-hydrostatic and hydrostatic conditions up to 36.4 GPa

Journal of Materials Chemistry C ◽

10.1039/d0tc06004f ◽

2021 ◽

Author(s):

Linfei Yang ◽

Jianjun Jiang ◽

Lidong Dai ◽

Haiying Hu ◽

Meiling Hong ◽

...

Keyword(s):

Phase Transition ◽

Raman Spectroscopy ◽

High Pressure ◽

Structural Properties ◽

Structural Phase Transition ◽

First Principles ◽

Theoretical Calculations ◽

Structural Phase

The vibrational, electrical and structural properties of Ga2S3 were explored by Raman spectroscopy, EC measurements, HRTEM and First-principles theoretical calculations under different pressure environments up to 36.4 GPa.

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