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Journal Articles

Influence of polymorphism on the lattice thermal conductivity of Ga₂O₃

Haoran Sun, Gang Yang

J. Vac. Sci. Technol. A 42, 062801 (2024)

https://doi.org/10.1116/6.0003844

Published: November 2024

View article titled, Influence of polymorphism on the lattice thermal conductivity of Ga2O3

Journal Articles

Enhancement of perpendicular magnetic anisotropy in W/Co/Pt films by nitrogen doping in the W layer

Zeyi Zhu, Jie Zhou, Hehai Long, Xiaomeng Wang, Songtian Li, Zhi Ma, Li Ma, Fu Zheng

J. Vac. Sci. Technol. A 42, 063408 (2024)

https://doi.org/10.1116/6.0004042

Published: November 2024

View article titled, Enhancement of perpendicular magnetic anisotropy in W/Co/Pt films by nitrogen doping in the W layer

Journal Articles

First-principles calculations on adsorption-diffusion behavior of transition layer Ti atoms on the Fe surface

Haiwei Han, Chunyan Chen, Shunuo Bian, Lihua Yu, Junhua Xu, Xinmeng Wu, Yaohong Jiang, Lijun Zhao

J. Vac. Sci. Technol. A 42, 053406 (2024)

https://doi.org/10.1116/6.0003808

Published: August 2024

View article titled, First-principles calculations on adsorption-diffusion behavior of transition layer Ti atoms on the Fe surface

Journal Articles

Density functional theory and molecular dynamics study on the growth of graphene by chemical vapor deposition on copper substrate

Qihang Li, Jinping Luo, Zaoyang Li, Mark H. Rummeli, Lijun Liu

J. Vac. Sci. Technol. A 42, 042202 (2024)

https://doi.org/10.1116/6.0003667

Published: June 2024

View article titled, Density functional theory and molecular dynamics study on the growth of graphene by chemical vapor deposition on copper substrate

Journal Articles

Radiation damage effects on electronic and optical properties of β-Ga₂O₃ from first-principles

Xiaoning Zhang, Xi Liang, Xing Li, Yuan Li, Jia-Yue Yang, Linhua Liu

J. Vac. Sci. Technol. A 42, 033201 (2024)

https://doi.org/10.1116/6.0003430

Published: March 2024

View article titled, Radiation damage effects on electronic and optical properties of β-Ga2O3 from first-principles

Includes: Supplementary data

Journal Articles

An examination of the performance of molecular dynamics force fields: Silicon and silicon dioxide reactive ion etching

Seungbo Shim, Joseph R. Vella, Jack S. Draney, Donghyeon Na, David B. Graves

J. Vac. Sci. Technol. A 42, 023207 (2024)

https://doi.org/10.1116/6.0003425

Published: February 2024

View article titled, An examination of the performance of molecular dynamics force fields: Silicon and silicon dioxide reactive ion etching

Includes: Supplementary data

Journal Articles

Thermal transport of defective β-Ga₂O₃ and B(In)GaO₃ alloys from atomistic simulations

Xiaoning Zhang, Haoyu Dong, Chao Yang, Xi Liang, Xing Li, Jia-Yue Yang, Linhua Liu

J. Vac. Sci. Technol. A 42, 023101 (2024)

https://doi.org/10.1116/6.0003214

Published: January 2024

View article titled, Thermal transport of defective β-Ga2O3 and B(In)GaO3 alloys from atomistic simulations

Includes: Supplementary data

Journal Articles

Active learning with moment tensor potentials to predict material properties: Ti_0.5Al_0.5N at elevated temperature

F. Bock, F. Tasnádi, I. A. Abrikosov

J. Vac. Sci. Technol. A 42, 013412 (2024)

https://doi.org/10.1116/6.0003260

Published: January 2024

View article titled, Active learning with moment tensor potentials to predict material properties: Ti0.5Al0.5N at elevated temperature

Journal Articles

Density functional theory calculations of mechanical and electronic properties of W_1−xTa_xN₆, W_1−xMo_xN₆, and Mo_1−xTa_xN₆ (0 ≤ x ≤ 1) alloys in a hexagonal structure

S. R. Kandel, D. Gall, S. V. Khare

J. Vac. Sci. Technol. A 41, 063112 (2023)

https://doi.org/10.1116/6.0002923

Published: October 2023

View article titled, Density functional theory calculations of mechanical and electronic properties of W1−xTaxN6, W1−xMoxN6, and Mo1−xTaxN6 (0 ≤ x ≤ 1) alloys in a hexagonal structure

Includes: Supplementary data

Journal Articles

Insight into the effect of coexistence of CO₂ and H₂ on stoichiometric and defective PuO₂ surfaces hydriding from first-principles study

Jingli Shi, Tao Gao, Gan Li, Hailiang Wang, Wenhua Luo

J. Vac. Sci. Technol. A 41, 043210 (2023)

https://doi.org/10.1116/6.0002617

Published: June 2023

View article titled, Insight into the effect of coexistence of CO2 and H2 on stoichiometric and defective PuO2 surfaces hydriding from first-principles study

Includes: Supplementary data

Journal Articles

Molecular beam epitaxy and crystal structure of majority a-plane-oriented and substrate-strained Mn₃Sn thin films grown directly on sapphire (0001)

Sneha Upadhyay, Tyler Erickson, Hannah Hall, Ashok Shrestha, David C. Ingram, Kai Sun, Juan Carlos Moreno Hernandez, Gregorio Hernandez Cocoletzi, Noboru Takeuchi, Arthur R. Smith

J. Vac. Sci. Technol. A 41, 042710 (2023)

https://doi.org/10.1116/6.0002535

Published: June 2023

View article titled, Molecular beam epitaxy and crystal structure of majority a-plane-oriented and substrate-strained Mn3Sn thin films grown directly on sapphire (0001)

Journal Articles

Structure evolution and mechanical properties of Al-alloyed tantalum diboride films prepared by magnetron sputtering co-deposition

Viktor Šroba, Tomáš Fiantok, Martin Truchlý, Tomáš Roch, Branislav Grančič, Katarína Viskupová, Leonid Satrapinskyy, Peter Švec, Jr., Štefan Nagy, Vitalii Izai, Peter Kúš, Marián Mikula

J. Vac. Sci. Technol. A 41, 023410 (2023)

https://doi.org/10.1116/6.0002390

Published: March 2023

View article titled, Structure evolution and mechanical properties of Al-alloyed tantalum diboride films prepared by magnetron sputtering co-deposition

Journal Articles

First principles study on the lattice thermal conductivity of α-phase Ga₂O₃

Gang Yang, Pedro Rojo Romeo, Aleksandra Apostoluk, Bertrand Vilquin

J. Vac. Sci. Technol. A 40, 052801 (2022)

https://doi.org/10.1116/6.0001870

Published: July 2022

View article titled, First principles study on the lattice thermal conductivity of α-phase Ga2O3

Journal Articles

Relationship between local coordinates and thermal conductivity in amorphous carbon

Emi Minamitani, Takuma Shiga, Makoto Kashiwagi, Ippei Obayashi

J. Vac. Sci. Technol. A 40, 033408 (2022)

https://doi.org/10.1116/6.0001744

Published: April 2022

View article titled, Relationship between local coordinates and thermal conductivity in amorphous carbon

Journal Articles

Electronic structure and anion engineering for perovskite oxysulfide BaTi(O,S)₃

Jingjing Liu, Sa Zhang, Ming Jiang, Haiyan Xiao, Shan Feng, Liang Qiao

J. Vac. Sci. Technol. A 40, 012801 (2022)

https://doi.org/10.1116/6.0001471

Published: December 2021

View article titled, Electronic structure and anion engineering for perovskite oxysulfide BaTi(O,S)3

Journal Articles

Thermodynamics and kinetics of H adsorption and intercalation for graphene on 6H-SiC(0001) from first-principles calculations

Yong Han, James W. Evans, Michael C. Tringides

J. Vac. Sci. Technol. A 40, 012202 (2022)

https://doi.org/10.1116/6.0001343

Published: December 2021

View article titled, Thermodynamics and kinetics of H adsorption and intercalation for graphene on 6H-SiC(0001) from first-principles calculations

Includes: Supplementary data

Journal Articles

Dependence of inherent selective atomic layer deposition of FeO_x on Pt nanoparticles on the coreactant and temperature

Jiaming Cai, Marc J. M. Merkx, Yuxiao Lan, Yao Jing, Kun Cao, Yanwei Wen, Wilhelmus M. M. Kessels, Adriaan J. M. Mackus, Rong Chen

J. Vac. Sci. Technol. A 39, 012404 (2021)

https://doi.org/10.1116/6.0000668

Published: December 2020

View article titled, Dependence of inherent selective atomic layer deposition of FeOx on Pt nanoparticles on the coreactant and temperature

Includes: Supplementary data

Journal Articles

First-principles study of phonon thermal transport in II–VI group graphenelike materials

Jianye Liu, Yinchang Zhao, Weiqiang Wang, Qi Zhong, Zhenhong Dai, Sheng Meng

J. Vac. Sci. Technol. A 38, 062202 (2020)

https://doi.org/10.1116/6.0000376

Published: October 2020

View article titled, First-principles study of phonon thermal transport in II–VI group graphenelike materials

Journal Articles

MoS₂-supported Au₃₁ for CO hydrogenation: A first-principle study

Tao Jiang, Duy Le, Talat S. Rahman

J. Vac. Sci. Technol. A 38, 032201 (2020)

https://doi.org/10.1116/1.5142853

Published: May 2020

View article titled, MoS2-supported Au31 for CO hydrogenation: A first-principle study

Journal Articles

Bixbyite-Ta₂N₂O film prepared by HiPIMS and postdeposition annealing: Structure and properties

J. Čapek, Š. Batková, M. Matas, Š. Kos, T. Kozák, S. Haviar, J. Houška, J. Schusser, J. Minár, F. Dvořák, P. Zeman

J. Vac. Sci. Technol. A 38, 033409 (2020)

https://doi.org/10.1116/6.0000066

Published: April 2020

View article titled, Bixbyite-Ta2N2O film prepared by HiPIMS and postdeposition annealing: Structure and properties

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Topics

Influence of polymorphism on the lattice thermal conductivity of Ga₂O₃

Enhancement of perpendicular magnetic anisotropy in W/Co/Pt films by nitrogen doping in the W layer

First-principles calculations on adsorption-diffusion behavior of transition layer Ti atoms on the Fe surface

Density functional theory and molecular dynamics study on the growth of graphene by chemical vapor deposition on copper substrate

Radiation damage effects on electronic and optical properties of β-Ga₂O₃ from first-principles

An examination of the performance of molecular dynamics force fields: Silicon and silicon dioxide reactive ion etching

Thermal transport of defective β-Ga₂O₃ and B(In)GaO₃ alloys from atomistic simulations

Active learning with moment tensor potentials to predict material properties: Ti_0.5Al_0.5N at elevated temperature

Density functional theory calculations of mechanical and electronic properties of W_1−xTa_xN₆, W_1−xMo_xN₆, and Mo_1−xTa_xN₆ (0 ≤ x ≤ 1) alloys in a hexagonal structure

Insight into the effect of coexistence of CO₂ and H₂ on stoichiometric and defective PuO₂ surfaces hydriding from first-principles study

Molecular beam epitaxy and crystal structure of majority a-plane-oriented and substrate-strained Mn₃Sn thin films grown directly on sapphire (0001)

Structure evolution and mechanical properties of Al-alloyed tantalum diboride films prepared by magnetron sputtering co-deposition

First principles study on the lattice thermal conductivity of α-phase Ga₂O₃

Relationship between local coordinates and thermal conductivity in amorphous carbon

Electronic structure and anion engineering for perovskite oxysulfide BaTi(O,S)₃

Thermodynamics and kinetics of H adsorption and intercalation for graphene on 6H-SiC(0001) from first-principles calculations

Dependence of inherent selective atomic layer deposition of FeO_x on Pt nanoparticles on the coreactant and temperature

First-principles study of phonon thermal transport in II–VI group graphenelike materials

MoS₂-supported Au₃₁ for CO hydrogenation: A first-principle study

Bixbyite-Ta₂N₂O film prepared by HiPIMS and postdeposition annealing: Structure and properties

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