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Journal Articles

A first-principles study of low-energy radiation responses of β-Ga2O3

Ming Jiang, Wang-Jian Liu, Yan Zhou, Xu-Sheng Liu, Chandra Veer Singh
Journal: Journal of Applied Physics
J. Appl. Phys. 136, 065901 (2024)
https://doi.org/10.1063/5.0203161
Published: August 2024
View article titled, A first-principles study of low-energy radiation responses of β-Ga<sub>2</sub>O<sub>3</sub>
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Journal Articles

Phase stability, piezoelectricity, and ferroelectricity in nitride short-period superlattices

Ling-Xu Zhao, Jian Liu
Journal: Journal of Applied Physics
J. Appl. Phys. 136, 025703 (2024)
https://doi.org/10.1063/5.0214258
Published: July 2024
View article titled, Phase stability, piezoelectricity, and ferroelectricity in nitride short-period superlattices
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Journal Articles

Lattice thermal conductivity of solid LiF based on machine learning force fields and the Green–Kubo approach

Si-xuan Li, Di Fan, Jia-chen Wang, Wen-qian Chen, Hong-zhou Song, Yong Lu
Journal: Journal of Applied Physics
J. Appl. Phys. 135, 175901 (2024)
https://doi.org/10.1063/5.0200038
Published: May 2024
View article titled, Lattice thermal conductivity of solid LiF based on machine learning force fields and the Green–Kubo approach
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Journal Articles

Thermoelectric properties and thermal transport in two-dimensional GaInSe3 and GaInTe3 monolayers: A first-principles study

Himanshu Nautiyal, Paolo Scardi
Journal: Journal of Applied Physics
J. Appl. Phys. 135, 174301 (2024)
https://doi.org/10.1063/5.0207618
Published: May 2024
View article titled, Thermoelectric properties and thermal transport in two-dimensional GaInSe<sub>3</sub> and GaInTe<sub>3</sub> monolayers: A first-principles study
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Journal Articles

Solid-liquid interfaces: Atomic-scale structure and dynamics

Angela Stelson, Damien Laage, Kathleen Schwarz, Ravishankar Sundararaman
Journal: Journal of Applied Physics
J. Appl. Phys. 135, 160401 (2024)
https://doi.org/10.1063/5.0209545
Published: April 2024
View article titled, Solid-liquid interfaces: Atomic-scale structure and dynamics
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Journal Articles

Interaction between water and point defects inside volume-constrained α-quartz: An ab initio molecular dynamics study at 300 K

Deep Choudhuri, Alex J. Rinehart
Journal: Journal of Applied Physics
J. Appl. Phys. 135, 165103 (2024)
https://doi.org/10.1063/5.0190356
Published: April 2024
View article titled, Interaction between water and point defects inside volume-constrained <em>α</em>-quartz: An <em>ab initio</em> molecular dynamics study at 300 K
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Journal Articles

Unified deep learning network for enhanced accuracy in predicting thermal conductivity of bilayer graphene, hexagonal boron nitride, and their heterostructures

Rongkun Chen, Yu Tian, Jiayi Cao, Weina Ren, Shiqian Hu, Chunhua Zeng
Journal: Journal of Applied Physics
J. Appl. Phys. 135, 145106 (2024)
https://doi.org/10.1063/5.0201698
Published: April 2024
View article titled, Unified deep learning network for enhanced accuracy in predicting thermal conductivity of bilayer graphene, hexagonal boron nitride, and their heterostructures
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Journal Articles

Carrier injection induced degradation of nitrogen passivated SiC–SiO2 interface simulated by time-dependent density functional theory

Tao Xiong, Xiuming Dou, Wen-Feng Li, Hongyu Wen, Hui-Xiong Deng, Yue-Yang Liu
Journal: Journal of Applied Physics
J. Appl. Phys. 135, 105701 (2024)
https://doi.org/10.1063/5.0190278
Published: March 2024
View article titled, Carrier injection induced degradation of nitrogen passivated SiC–SiO<sub>2</sub> interface simulated by time-dependent density functional theory
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Journal Articles

Atomic and electronic origin of robust off-state insulation properties in Al-rich AlxTey glass for ovonic threshold switching applications

Xiao-Dong Li, Maoan Tian, Bai-Qian Wang, Nian-Ke Chen, Xian-Bin Li
Journal: Journal of Applied Physics
J. Appl. Phys. 134, 204502 (2023)
https://doi.org/10.1063/5.0168408
Published: November 2023
View article titled, Atomic and electronic origin of robust off-state insulation properties in Al-rich Al<em><sub>x</sub></em>Te<em><sub>y</sub></em> glass for ovonic threshold switching applications
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Includes: Supplementary data
Journal Articles

The effect of chemistry and thermal fluctuations on charge injection barriers at aluminum/polyolefin interfaces

Yiyuan Wang, Sari J. Laihonen, Mikael Unge, Arash A. Mostofi
Journal: Journal of Applied Physics
J. Appl. Phys. 134, 125301 (2023)
https://doi.org/10.1063/5.0164045
Published: September 2023
View article titled, The effect of chemistry and thermal fluctuations on charge injection barriers at aluminum/polyolefin interfaces
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Journal Articles

Dependence of photocatalytic activity on the direction of the intrinsic dipole in GaOI-based Janus structures

Manting Li, Mengshi Zhou, Jiewen Min, Chunxiao Zhang, Chao Tang, Jianxin Zhong
Journal: Journal of Applied Physics
J. Appl. Phys. 134, 115001 (2023)
https://doi.org/10.1063/5.0151393
Published: September 2023
View article titled, Dependence of photocatalytic activity on the direction of the intrinsic dipole in GaOI-based Janus structures
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Includes: Supplementary data
Journal Articles

A first principles study of the in-plane strain effects on the dielectric constant of high-κ Be0.25Mg0.75O superlattice

Seungjae Yoon, Gyuseung Han, Kun Hee Ye, Taeyoung Jeong, Cheol Seong Hwang, Jung-Hae Choi
Journal: Journal of Applied Physics
J. Appl. Phys. 134, 054102 (2023)
https://doi.org/10.1063/5.0159353
Published: August 2023
View article titled, A first principles study of the in-plane strain effects on the dielectric constant of high-κ Be<sub>0.25</sub>Mg<sub>0.75</sub>O superlattice
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Includes: Supplementary data
Journal Articles

Factors controlling heteroepitaxial phase formation at intermetallic-Al3Sc/liquid interfaces

Hunter Wilkinson, Brianne Boyd, John M. O’Connell, Reilly Knox, Alex J. Rinehart, Bhaskar S. Majumdar, Deep Choudhuri
Journal: Journal of Applied Physics
J. Appl. Phys. 133, 124902 (2023)
https://doi.org/10.1063/5.0142117
Published: March 2023
View article titled, Factors controlling heteroepitaxial phase formation at intermetallic-Al<sub>3</sub>Sc/liquid interfaces
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Includes: Supplementary data
Journal Articles

Molybdenum disulfide under extreme conditions: An ab initio study on its melting

Fernan Saiz
Journal: Journal of Applied Physics
J. Appl. Phys. 133, 105102 (2023)
https://doi.org/10.1063/5.0139013
Published: March 2023
View article titled, Molybdenum disulfide under extreme conditions: An <em>ab initio</em> study on its melting
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Includes: Supplementary data
Journal Articles

A deep learning approach to predict thermophysical properties of metastable liquid Ti-Ni-Cr-Al alloy

Editor’s Pick
R. L. Xiao, Q. Wang, J. Y. Qin, J. F. Zhao, Y. Ruan, H. P. Wang, H. Li, B. Wei
Journal: Journal of Applied Physics
J. Appl. Phys. 133, 085102 (2023)
https://doi.org/10.1063/5.0138001
Published: February 2023
View article titled, A deep learning approach to predict thermophysical properties of metastable liquid Ti-Ni-Cr-Al alloy
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Journal Articles

Spatial inhomogeneity of point defect properties in refractory multi-principal element alloy with short-range order: A first-principles study

Tan Shi, Sixin Lyu, Zhengxiong Su, Yunpeng Wang, Xi Qiu, Dan Sun, Yong Xin, Wenjie Li, Jiang Cao, Qing Peng, Yuanming Li, Chenyang Lu
Journal: Journal of Applied Physics
J. Appl. Phys. 133, 075103 (2023)
https://doi.org/10.1063/5.0128657
Published: February 2023
View article titled, Spatial inhomogeneity of point defect properties in refractory multi-principal element alloy with short-range order: A first-principles study
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Includes: Supplementary data
Journal Articles

Comparing the accuracy of melting temperature prediction methods for high entropy alloys

Saswat Mishra, Karthik Guda Vishnu, Alejandro Strachan
Journal: Journal of Applied Physics
J. Appl. Phys. 132, 205901 (2022)
https://doi.org/10.1063/5.0101548
Published: November 2022
View article titled, Comparing the accuracy of melting temperature prediction methods for high entropy alloys
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Journal Articles

Quantum water desalination: Water generation through separate pathways for protons and hydroxide ions in membranes

Archith Rayabharam, N. R. Aluru
Journal: Journal of Applied Physics
J. Appl. Phys. 132, 194302 (2022)
https://doi.org/10.1063/5.0122324
Published: November 2022
View article titled, Quantum water desalination: Water generation through separate pathways for protons and hydroxide ions in membranes
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Journal Articles

A density functional theory study of twin T-graphene as an anode material for Na-ion-based batteries

Roya Majidi, Ahmad I. Ayesh
Journal: Journal of Applied Physics
J. Appl. Phys. 132, 194301 (2022)
https://doi.org/10.1063/5.0123013
Published: November 2022
View article titled, A density functional theory study of twin T-graphene as an anode material for Na-ion-based batteries
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Journal Articles

Aluminum Frenkel defects cause hysteresis in Al2O3/AlGaN capacitors

I. Deretzis, P. Fiorenza, T. Fazio, E. Schilirò, R. Lo Nigro, G. Greco, G. Fisicaro, F. Roccaforte, A. La Magna
Journal: Journal of Applied Physics
J. Appl. Phys. 132, 165105 (2022)
https://doi.org/10.1063/5.0112976
Published: October 2022
View article titled, Aluminum Frenkel defects cause hysteresis in Al<sub>2</sub>O<sub>3</sub>/AlGaN capacitors
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