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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

Journal Articles

Thermodynamic stability of hexagonal and rhombohedral boron nitride under chemical vapor deposition conditions from van der Waals corrected first principles calculations

Henrik Pedersen, Björn Alling, Hans Högberg, Annop Ektarawong

J. Vac. Sci. Technol. A 37, 040603 (2019)

https://doi.org/10.1116/1.5107455

Published: June 2019

View article titled, Thermodynamic stability of hexagonal and rhombohedral boron nitride under chemical vapor deposition conditions from van der Waals corrected first principles calculations

Includes: Supplementary data

Journal Articles

Electronic structure of BaSnO₃ investigated by high-energy-resolution electron energy-loss spectroscopy and ab initio calculations

Hwanhui Yun, Mehmet Topsakal, Abhinav Prakash, Koustav Ganguly, Chris Leighton, Bharat Jalan, Renata M. Wentzcovitch, K. Andre Mkhoyan, Jong Seok Jeong

J. Vac. Sci. Technol. A 36, 031503 (2018)

https://doi.org/10.1116/1.5026298

Published: March 2018

View article titled, Electronic structure of BaSnO3 investigated by high-energy-resolution electron energy-loss spectroscopy and ab initio calculations

Journal Articles

Magnetic properties of iron doped zirconia as a function of Fe concentration: From ab initio simulations to the growth of thin films by atomic layer deposition and their characterization by synchrotron radiation

Alessio Lamperti, Elena Cianci, Roberta Ciprian, Luca Capasso, Eugen Weschke, Alberto Debernardi

J. Vac. Sci. Technol. A 36, 02D404 (2018)

https://doi.org/10.1116/1.5016028

Published: February 2018

View article titled, Magnetic properties of iron doped zirconia as a function of Fe concentration: From ab initio simulations to the growth of thin films by atomic layer deposition and their characterization by synchrotron radiation

Journal Articles

Predicting synergy in atomic layer etching

Keren J. Kanarik, Samantha Tan, Wenbing Yang, Taeseung Kim, Thorsten Lill, Alexander Kabansky, Eric A. Hudson, Tomihito Ohba, Kazuo Nojiri, Jengyi Yu, Rich Wise, Ivan L. Berry, Yang Pan, Jeffrey Marks, Richard A. Gottscho

J. Vac. Sci. Technol. A 35, 05C302 (2017)

https://doi.org/10.1116/1.4979019

Published: March 2017

View article titled, Predicting synergy in atomic layer etching

Journal Articles

Ab initio determination of electron affinity of polar nitride surfaces, clean and under Cs coverage

Pawel Strak, Pawel Kempisty, Konrad Sakowski, Stanislaw Krukowski

J. Vac. Sci. Technol. A 35, 021406 (2017)

https://doi.org/10.1116/1.4975332

Published: February 2017

View article titled, Ab initio determination of electron affinity of polar nitride surfaces, clean and under Cs coverage

Journal Articles

Native oxide transport and removal during the atomic layer deposition of Ta₂O₅ on InAs(100) surfaces

Alex J. Henegar, Theodosia Gougousi

J. Vac. Sci. Technol. A 34, 031101 (2016)

https://doi.org/10.1116/1.4945115

Published: March 2016

View article titled, Native oxide transport and removal during the atomic layer deposition of Ta2O5 on InAs(100) surfaces

Journal Articles

Atomic layer deposition by reaction of molecular oxygen with tetrakisdimethylamido-metal precursors

J Provine, Peter Schindler, Jan Torgersen, Hyo Jin Kim, Hans-Peter Karnthaler, Fritz B. Prinz

J. Vac. Sci. Technol. A 34, 01A138 (2016)

https://doi.org/10.1116/1.4937991

Published: December 2015

View article titled, Atomic layer deposition by reaction of molecular oxygen with tetrakisdimethylamido-metal precursors

Includes: Supplementary data

Journal Articles

Formation of Si¹⁺ in the early stages of the oxidation of the Si[001] 2 × 1 surface

Alberto Herrera-Gomez, Francisco-Servando Aguirre-Tostado, Piero Pianetta

J. Vac. Sci. Technol. A 34, 020601 (2016)

https://doi.org/10.1116/1.4936336

Published: December 2015

View article titled, Formation of Si1+ in the early stages of the oxidation of the Si[001] 2 × 1 surface

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Topics

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

Thermodynamic stability of hexagonal and rhombohedral boron nitride under chemical vapor deposition conditions from van der Waals corrected first principles calculations

Electronic structure of BaSnO₃ investigated by high-energy-resolution electron energy-loss spectroscopy and ab initio calculations

Magnetic properties of iron doped zirconia as a function of Fe concentration: From ab initio simulations to the growth of thin films by atomic layer deposition and their characterization by synchrotron radiation

Predicting synergy in atomic layer etching

Ab initio determination of electron affinity of polar nitride surfaces, clean and under Cs coverage

Native oxide transport and removal during the atomic layer deposition of Ta₂O₅ on InAs(100) surfaces

Atomic layer deposition by reaction of molecular oxygen with tetrakisdimethylamido-metal precursors

Formation of Si¹⁺ in the early stages of the oxidation of the Si[001] 2 × 1 surface

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