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Journal Articles

Ferroelectric In₂Se₃-modulated polymorph recognition in tetralayer graphene

Jindian Chen, He Sun, Huxiao Yang, Jian Zhou, Yuehua Xu

J. Appl. Phys. 137, 124301 (2025)

https://doi.org/10.1063/5.0255501

Published: March 2025

View articletitled, Ferroelectric In2Se3-modulated polymorph recognition in tetralayer graphene

Journal Articles

Polymorphism and phase transitions in layered uranium(VI) hydroxides: Ab initio lattice dynamics simulations of UO₂(OH)₂

Philippe F. Weck, Eunja Kim

J. Appl. Phys. 136, 225102 (2024)

https://doi.org/10.1063/5.0242688

Published: December 2024

View articletitled, Polymorphism and phase transitions in layered uranium(VI) hydroxides: Ab initio lattice dynamics simulations of UO2(OH)2

Journal Articles

Shock compression of crystalline TeO₂ to the high-pressure fluid regime: Insights from ab initio molecular dynamics simulations

Philippe F. Weck, Eunja Kim

J. Appl. Phys. 136, 185901 (2024)

https://doi.org/10.1063/5.0235106

Published: November 2024

View articletitled, Shock compression of crystalline TeO2 to the high-pressure fluid regime: Insights from ab initio molecular dynamics simulations

Journal Articles

Cryogenic temperatures promote the pressure-induced polymorphic transition in CoCrFeMnNi high entropy alloy

Magnus Hörnqvist Colliander, Dörthe Haase, Konstantin Glazyrin, Aina Edgren, Pan Wang, Malcolm Guthrie, Sheng Guo

J. Appl. Phys. 136, 115101 (2024)

https://doi.org/10.1063/5.0220107

Published: September 2024

View articletitled, Cryogenic temperatures promote the pressure-induced polymorphic transition in CoCrFeMnNi high entropy alloy

Journal Articles

Novel hard and unusual superconducting monoclinic phase of FeB₂C₂: An ab initio evolutionary study

Komsilp Kotmool, Udomsilp Pinsook, Wei Luo, Rajeev Ahuja, Thiti Bovornratanaraks

J. Appl. Phys. 135, 225102 (2024)

https://doi.org/10.1063/5.0207407

Published: June 2024

View articletitled, Novel hard and unusual superconducting monoclinic phase of FeB2C2: An ab initio evolutionary study

Journal Articles

Metastable marvels: Navigating VO₂ polymorphs for next-gen electronics and energy solutions

Neetu Vishwakarma, Abhijith Ambadi Remadevi, Deepak Kumar, Ankur Solanki, Abhimanyu Singh Rana, Amar Srivastava

J. Appl. Phys. 135, 025303 (2024)

https://doi.org/10.1063/5.0179343

Published: January 2024

View articletitled, Metastable marvels: Navigating VO2 polymorphs for next-gen electronics and energy solutions

Journal Articles

Transferability of interatomic potentials for germanene (2D germanium)

Marcin Maździarz

J. Appl. Phys. 134, 184303 (2023)

https://doi.org/10.1063/5.0173745

Published: November 2023

View articletitled, Transferability of interatomic potentials for germanene (2D germanium)

Includes: Supplementary data

Journal Articles

Molecular dynamics study of diffusionless phase transformations in HMX: β-HMX twinning and β-ɛ phase transition

Andrey Pereverzev

J. Appl. Phys. 134, 125105 (2023)

https://doi.org/10.1063/5.0171571

Published: September 2023

View articletitled, Molecular dynamics study of diffusionless phase transformations in HMX: β-HMX twinning and β-ɛ phase transition

Includes: Supplementary data

Journal Articles

First-principles based study of 8-Pmmn borophene and metal interface

Vaishnavi Vishnubhotla, Sanchali Mitra, Santanu Mahapatra

J. Appl. Phys. 134, 034301 (2023)

https://doi.org/10.1063/5.0144328

Published: July 2023

View articletitled, First-principles based study of 8-Pmmn borophene and metal interface

Includes: Supplementary data

Journal Articles

Ab initio study of Raman modes and thermodynamic properties of Ti_nO_2n−1

S. Vahid Hosseini, Mohaddeseh Abbasnejad, Mohammad Reza Mohammadizadeh

J. Appl. Phys. 133, 175103 (2023)

https://doi.org/10.1063/5.0139714

Published: May 2023

View articletitled, Ab initio study of Raman modes and thermodynamic properties of TinO2n−1

Includes: Supplementary data

Journal Articles

Tuning electrical properties in Ga₂O₃ polymorphs induced with ion beams

A. Y. Polyakov, А. I. Kochkova, A. Azarov, V. Venkatachalapathy, A. V. Miakonkikh, A. A. Vasilev, A. V. Chernykh, I. V. Shchemerov, A. A. Romanov, A. Kuznetsov, S. J. Pearton

J. Appl. Phys. 133, 095701 (2023)

https://doi.org/10.1063/5.0133181

Published: March 2023

View articletitled, Tuning electrical properties in Ga2O3 polymorphs induced with ion beams

Includes: Supplementary data

Journal Articles

Unusual mechanical strengths of Ta₂O₅ stable phases: A first-principles calculation study

Yuxi He, Hong Sun

J. Appl. Phys. 133, 095103 (2023)

https://doi.org/10.1063/5.0138458

Published: March 2023

View articletitled, Unusual mechanical strengths of Ta2O5 stable phases: A first-principles calculation study

Includes: Supplementary data

Journal Articles

Revisiting the electronic and optical properties of SiO₂ polymorphs by hybrid functional calculations

Jiaqi Chen, Zhaofu Zhang, Yuzheng Guo, John Robertson

J. Appl. Phys. 133, 044101 (2023)

https://doi.org/10.1063/5.0134576

Published: January 2023

View articletitled, Revisiting the electronic and optical properties of SiO2 polymorphs by hybrid functional calculations

Journal Articles

Enhanced epitaxial growth of Ga₂O₃ using an ultrathin SnO₂ layer

A. Karg, M. Kracht, P. Vogt, A. Messow, N. Braud, J. Schörmann, M. Rohnke, J. Janek, J. Falta, M. Eickhoff

J. Appl. Phys. 132, 195304 (2022)

https://doi.org/10.1063/5.0127232

Published: November 2022

View articletitled, Enhanced epitaxial growth of Ga2O3 using an ultrathin SnO2 layer

Includes: Supplementary data

Journal Articles

Shocked silica aerogel radiance transition

B. J. Henderson, J. R. Rygg, M. C. Marshall, M. K. Ginnane, L. E. Hansen, E. Davies, P. M. Celliers, G. W. Collins

J. Appl. Phys. 132, 095902 (2022)

https://doi.org/10.1063/5.0105194

Published: September 2022

View articletitled, Shocked silica aerogel radiance transition

Journal Articles

An investigation of shock-induced phase transition in soda-lime glass

Akshay Joshi, Vatsa Gandhi, Suraj Ravindran, Guruswami Ravichandran

J. Appl. Phys. 131, 205902 (2022)

https://doi.org/10.1063/5.0086627

Published: May 2022

View articletitled, An investigation of shock-induced phase transition in soda-lime glass

Journal Articles

Origin of strong Coulomb interactions in borophene: First-principles Wannier function analysis

D. P. Rai, C. E. Ekuma

J. Appl. Phys. 131, 145105 (2022)

https://doi.org/10.1063/5.0088860

Published: April 2022

View articletitled, Origin of strong Coulomb interactions in borophene: First-principles Wannier function analysis

Journal Articles

Radiation-induced defect accumulation and annealing in Si-implanted gallium oxide

S. B. Kjeldby, A. Azarov, P. D. Nguyen, V. Venkatachalapathy, R. Mikšová, A. Macková, A. Kuznetsov, Ø. Prytz, L. Vines

J. Appl. Phys. 131, 125701 (2022)

https://doi.org/10.1063/5.0083858

Published: March 2022

View articletitled, Radiation-induced defect accumulation and annealing in Si-implanted gallium oxide

Journal Articles

First-principles based study of magnetic states and high-pressure enthalpy landscape of manganese sulfide polymorphs

Artem Chmeruk, Maribel Núñez-Valdez

J. Appl. Phys. 131, 115904 (2022)

https://doi.org/10.1063/5.0080499

Published: March 2022

View articletitled, First-principles based study of magnetic states and high-pressure enthalpy landscape of manganese sulfide polymorphs

Journal Articles

All sp² hybridization BN polymorphs with wide bandgap

Qingyang Fan, Nan Wu, Runling Yang, Wei Zhang, Xinhai Yu, Sining Yun

J. Appl. Phys. 131, 055703 (2022)

https://doi.org/10.1063/5.0069491

Published: February 2022

View articletitled, All sp2 hybridization BN polymorphs with wide bandgap

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Ferroelectric In₂Se₃-modulated polymorph recognition in tetralayer graphene

Polymorphism and phase transitions in layered uranium(VI) hydroxides: Ab initio lattice dynamics simulations of UO₂(OH)₂

Shock compression of crystalline TeO₂ to the high-pressure fluid regime: Insights from ab initio molecular dynamics simulations

Cryogenic temperatures promote the pressure-induced polymorphic transition in CoCrFeMnNi high entropy alloy

Novel hard and unusual superconducting monoclinic phase of FeB₂C₂: An ab initio evolutionary study

Metastable marvels: Navigating VO₂ polymorphs for next-gen electronics and energy solutions

Transferability of interatomic potentials for germanene (2D germanium)

Molecular dynamics study of diffusionless phase transformations in HMX: β-HMX twinning and β-ɛ phase transition

First-principles based study of 8-Pmmn borophene and metal interface

Ab initio study of Raman modes and thermodynamic properties of Ti_nO_2n−1

Tuning electrical properties in Ga₂O₃ polymorphs induced with ion beams

Unusual mechanical strengths of Ta₂O₅ stable phases: A first-principles calculation study

Revisiting the electronic and optical properties of SiO₂ polymorphs by hybrid functional calculations

Enhanced epitaxial growth of Ga₂O₃ using an ultrathin SnO₂ layer

Shocked silica aerogel radiance transition

An investigation of shock-induced phase transition in soda-lime glass

Origin of strong Coulomb interactions in borophene: First-principles Wannier function analysis

Radiation-induced defect accumulation and annealing in Si-implanted gallium oxide

First-principles based study of magnetic states and high-pressure enthalpy landscape of manganese sulfide polymorphs

All sp² hybridization BN polymorphs with wide bandgap

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