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Journal Articles

General theory of cavity-mediated interactions between low-energy matter excitations

Carlos J. Sánchez Martínez, Frieder Lindel, Francisco J. García-Vidal, Johannes Feist

J. Chem. Phys. 161, 194303 (2024)

https://doi.org/10.1063/5.0231058

Published: November 2024

View article titled, General theory of cavity-mediated interactions between low-energy matter excitations

Journal Articles

Electronic structure of zaykovite Rh₃Se₄, prediction, and analysis of physical properties of related materials: Pd₃Se₄, Ir₃Se₄, and Pt₃Se₄

Leonid S. Taran, Sergey V. Eremeev, Sergey V. Streltsov

J. Chem. Phys. 161, 134710 (2024)

https://doi.org/10.1063/5.0232257

Published: October 2024

View article titled, Electronic structure of zaykovite Rh3Se4, prediction, and analysis of physical properties of related materials: Pd3Se4, Ir3Se4, and Pt3Se4

Journal Articles

First-principles study on pressure-induced superconductivity and structural design on transition metal diborides

Chao Zhou, Hongyu Yu, Zihan Zhang, Zekun Yu, Jinming Zhu, Kuo Bao, Tian Cui

J. Chem. Phys. 161, 084712 (2024)

https://doi.org/10.1063/5.0225610

Published: August 2024

View article titled, First-principles study on pressure-induced superconductivity and structural design on transition metal diborides

Journal Articles

Anharmonic and quantum effects in Pm 3 ̄ AlM(M = Hf, Zr)H₆ under high pressure: A first-principles study

Pugeng Hou, Yao Ma, Mi Pang, Yongmao Cai, Yuhua Shen, Hui Xie, Fubo Tian

J. Chem. Phys. 161, 024504 (2024)

https://doi.org/10.1063/5.0219790

Published: July 2024

View article titled, Anharmonic and quantum effects in Pm 3 ̄ AlM(M = Hf, Zr)H6 under high pressure: A first-principles study

Journal Articles

Strong electron–phonon coupling and multigap superconductivity in 2H/1T Janus MoSLi monolayer

Hongmei Xie, Zhijing Huang, Yinchang Zhao, Hao Huang, Geng Li, Zonglin Gu, Shuming Zeng

J. Chem. Phys. 160, 234707 (2024)

https://doi.org/10.1063/5.0210968

Published: June 2024

View article titled, Strong electron–phonon coupling and multigap superconductivity in 2H/1T Janus MoSLi monolayer

Journal Articles

Large-bipolaron liquids in cuprate superconductors

David Emin

J. Chem. Phys. 160, 210901 (2024)

https://doi.org/10.1063/5.0208583

Published: June 2024

View article titled, Large-bipolaron liquids in cuprate superconductors

Journal Articles

First-principles study of high-pressure structural phase transition and superconductivity of YBeH₈

Jianhui Du, Qiwen Jiang, Zihan Zhang, Wendi Zhao, Ling Chen, ZiHao Huo, Hao Song, Fubo Tian, Defang Duan, Tian Cui

J. Chem. Phys. 160, 094116 (2024)

https://doi.org/10.1063/5.0195828

Published: March 2024

View article titled, First-principles study of high-pressure structural phase transition and superconductivity of YBeH8

Includes: Supplementary data

Journal Articles

Comparing first-principles density functionals plus corrections for the lattice dynamics of YBa₂Cu₃O₆

Jinliang Ning, Christopher Lane, Bernardo Barbiellini, Robert S. Markiewicz, Arun Bansil, Adrienn Ruzsinszky, John P. Perdew, Jianwei Sun

J. Chem. Phys. 160, 064106 (2024)

https://doi.org/10.1063/5.0181349

Published: February 2024

View article titled, Comparing first-principles density functionals plus corrections for the lattice dynamics of YBa2Cu3O6

Journal Articles

Superconductivity of cubic MB₆ (M = Na, K, Rb, Cs)

Shi Chen, Hui Xie, Dan Xu, Jiajin Chen, Bohan Cao, Min Liang, Yibo Sun, Xiaoqian Gai, Xinwei Wang, Mengxin Yang, Mengrui Zhang, Defang Duan, Da Li, Fubo Tian

J. Chem. Phys. 160, 044702 (2024)

https://doi.org/10.1063/5.0179339

Published: January 2024

View article titled, Superconductivity of cubic MB6 (M = Na, K, Rb, Cs)

Includes: Supplementary data

Journal Articles

Hardness and superconductivity in tetragonal LiB₄ and NaB₄

Qianyi Wang, Honggang Li, Jiahui Wei, Ting Zhong, Li Zhu, Xinxin Zhang, Hanyu Liu, Shoutao Zhang

J. Chem. Phys. 159, 234707 (2023)

https://doi.org/10.1063/5.0180248

Published: December 2023

View article titled, Hardness and superconductivity in tetragonal LiB4 and NaB4

Includes: Supplementary data

Journal Articles

Superconductivity determined by the S–H framework in CH₄-inserted S–H framework hydrides under high pressures

Shunwei Yao, Wenjing Hu, Ben Wang, Lin Peng, Tingting Shi, Xiaolin Liu, Jing Chen, Jia Lin, Dao-Xin Yao, Xianfeng Chen

J. Chem. Phys. 159, 044714 (2023)

https://doi.org/10.1063/5.0158303

Published: July 2023

View article titled, Superconductivity determined by the S–H framework in CH4-inserted S–H framework hydrides under high pressures

Includes: Supplementary data

Journal Articles

A pressure-induced high-pressure metallic GeTe phase

Lamei Zhao, Xinran Zhang, Biao Wan, Zhuangfei Zhang, Weixia Shen, Yuewen Zhang, Chao Fang, Liangchao Chen, Qianqian Wang, Julong He, Xiaopeng Jia

J. Chem. Phys. 158, 134711 (2023)

https://doi.org/10.1063/5.0143506

Published: April 2023

View article titled, A pressure-induced high-pressure metallic GeTe phase

Journal Articles

Superconducting Li₁₀Se electride under pressure

Xiaohua Zhang, Yaping Zhao, Aitor Bergara, Guochun Yang

J. Chem. Phys. 156, 194112 (2022)

https://doi.org/10.1063/5.0092516

Published: May 2022

View article titled, Superconducting Li10Se electride under pressure

Includes: Supplementary data

Journal Articles

Spin–phonon coupling in ferrimagnet spinel CoMn₂O₄

Bommareddy Poojitha, Aswin Shaji, Shalini Badola, Surajit Saha

J. Chem. Phys. 156, 184701 (2022)

https://doi.org/10.1063/5.0087770

Published: May 2022

View article titled, Spin–phonon coupling in ferrimagnet spinel CoMn2O4

Includes: Supplementary data

Journal Articles

A combined helium atom scattering and density-functional theory study of the Nb(100) surface oxide reconstruction: Phonon band structures and vibrational dynamics

Alison A. McMillan, Caleb J. Thompson, Michelle M. Kelley, Jacob D. Graham, Tomás A. Arias, S. J. Sibener

J. Chem. Phys. 156, 124702 (2022)

https://doi.org/10.1063/5.0085653

Published: March 2022

View article titled, A combined helium atom scattering and density-functional theory study of the Nb(100) surface oxide reconstruction: Phonon band structures and vibrational dynamics

Journal Articles

Water on hydroxylated silica surfaces: Work of adhesion, interfacial entropy, and droplet wetting

Carlos Bistafa, Donatas Surblys, Hiroki Kusudo, Yasutaka Yamaguchi

J. Chem. Phys. 155, 064703 (2021)

https://doi.org/10.1063/5.0056718

Published: August 2021

View article titled, Water on hydroxylated silica surfaces: Work of adhesion, interfacial entropy, and droplet wetting

Journal Articles

Immiscibility in N₂–H₂O solids up to 140 GPa

Xiao Zhang, Yu Wang, Maxim Bykov, Elena Bykova, Stella Chariton, Vitali B. Prakapenka, Konstantin Glazyrin, Alexander F. Goncharov

J. Chem. Phys. 154, 234505 (2021)

https://doi.org/10.1063/5.0052315

Published: June 2021

View article titled, Immiscibility in N2–H2O solids up to 140 GPa

Includes: Supplementary data

Journal Articles

Electric field-induced oxygen vacancies in YBa₂Cu₃O₇

A. Lorenzo Mariano, Roberta Poloni

J. Chem. Phys. 154, 224703 (2021)

https://doi.org/10.1063/5.0048597

Published: June 2021

View article titled, Electric field-induced oxygen vacancies in YBa2Cu3O7

Journal Articles

Structural and electronic properties of C₆₀ fullerene network self-assembled on metal-covered semiconductor surfaces

A. N. Mihalyuk, T. V. Utas, S. V. Eremeev, C. R. Hsing, C. M. Wei, A. V. Zotov, A. A. Saranin

J. Chem. Phys. 154, 104703 (2021)

https://doi.org/10.1063/5.0040483

Published: March 2021

View article titled, Structural and electronic properties of C60 fullerene network self-assembled on metal-covered semiconductor surfaces

Journal Articles

Correlating the antisymmetrized geminal power wave function

Thomas M. Henderson, Gustavo E. Scuseria

J. Chem. Phys. 153, 084111 (2020)

https://doi.org/10.1063/5.0021144

Published: August 2020

View article titled, Correlating the antisymmetrized geminal power wave function

NARROW

Topics

General theory of cavity-mediated interactions between low-energy matter excitations

Electronic structure of zaykovite Rh₃Se₄, prediction, and analysis of physical properties of related materials: Pd₃Se₄, Ir₃Se₄, and Pt₃Se₄

First-principles study on pressure-induced superconductivity and structural design on transition metal diborides

Anharmonic and quantum effects in Pm 3 ̄ AlM(M = Hf, Zr)H₆ under high pressure: A first-principles study

Strong electron–phonon coupling and multigap superconductivity in 2H/1T Janus MoSLi monolayer

Large-bipolaron liquids in cuprate superconductors

First-principles study of high-pressure structural phase transition and superconductivity of YBeH₈

Comparing first-principles density functionals plus corrections for the lattice dynamics of YBa₂Cu₃O₆

Superconductivity of cubic MB₆ (M = Na, K, Rb, Cs)

Hardness and superconductivity in tetragonal LiB₄ and NaB₄

Superconductivity determined by the S–H framework in CH₄-inserted S–H framework hydrides under high pressures

A pressure-induced high-pressure metallic GeTe phase

Superconducting Li₁₀Se electride under pressure

Spin–phonon coupling in ferrimagnet spinel CoMn₂O₄

A combined helium atom scattering and density-functional theory study of the Nb(100) surface oxide reconstruction: Phonon band structures and vibrational dynamics

Water on hydroxylated silica surfaces: Work of adhesion, interfacial entropy, and droplet wetting

Immiscibility in N₂–H₂O solids up to 140 GPa

Electric field-induced oxygen vacancies in YBa₂Cu₃O₇

Structural and electronic properties of C₆₀ fullerene network self-assembled on metal-covered semiconductor surfaces

Correlating the antisymmetrized geminal power wave function

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