Page 1 | Search Results | Journal of Applied Physics

1-20 of 246

Sort by

Sort Order Select

Journal Articles

Addressing accuracy by prescribing precision: Bayesian error estimation of point defect energetics

Andrew Timmins, Rachel C. Kurchin

J. Appl. Phys. 136, 095701 (2024)

https://doi.org/10.1063/5.0211543

Published: September 2024

View article titled, Addressing accuracy by prescribing precision: Bayesian error estimation of point defect energetics

Journal Articles

Dipole engineering to achieve interface dependent electric contact in Janus MoSO/graphene heterostructure

Wei Zhang, Weixiao Ji

J. Appl. Phys. 136, 084304 (2024)

https://doi.org/10.1063/5.0220170

Published: August 2024

View article titled, Dipole engineering to achieve interface dependent electric contact in Janus MoSO/graphene heterostructure

Journal Articles

Electronic properties and formation energy of chalcogen-doped (S/Se/Te) corundum Al₂O₃

Yimin Liao, Hanzhao Song, Zhigao Xie, Chuang Zhang, Zhuolun Han, Yan Wang, Chee-Keong Tan

J. Appl. Phys. 136, 055701 (2024)

https://doi.org/10.1063/5.0207498

Published: August 2024

View article titled, Electronic properties and formation energy of chalcogen-doped (S/Se/Te) corundum Al2O3

Journal Articles

First-principles calculations on charge states and solubility of impurity defects in BaTiO₃

Tomosato Kanagawa, Daisuke Hirai, Sakyo Hirose

J. Appl. Phys. 136, 034103 (2024)

https://doi.org/10.1063/5.0215428

Published: July 2024

View article titled, First-principles calculations on charge states and solubility of impurity defects in BaTiO3

Journal Articles

Achieving n-type doped monoclinic ( In x Al 1 - x ) 2 O 3 alloys

Sierra Seacat, Hartwin Peelaers

J. Appl. Phys. 135, 235705 (2024)

https://doi.org/10.1063/5.0211069

Published: June 2024

View article titled, Achieving n-type doped monoclinic ( In x Al 1 - x ) 2 O 3 alloys

Journal Articles

DFT + U accurate for strain effect and overall properties of perovskite oxide ferroelectrics and polaron

Yukio Watanabe

J. Appl. Phys. 135, 224103 (2024)

https://doi.org/10.1063/5.0213487

Published: June 2024

View article titled, DFT + U accurate for strain effect and overall properties of perovskite oxide ferroelectrics and polaron

Journal Articles

Hydrogen passivation of acceptor defects in delafossite CuMO₂ (M = Al, Ga, In): Insights for enhanced p-type conductivity

Aroon Ananchuensook, Intuon Chatratin, Anderson Janotti, Teeraphat Watcharatharapong, Jiraroj T-Thienprasert, Adisak Boonchun, Sirichok Jungthawan, Pakpoom Reunchan

J. Appl. Phys. 135, 185705 (2024)

https://doi.org/10.1063/5.0201483

Published: May 2024

View article titled, Hydrogen passivation of acceptor defects in delafossite CuMO2 (M = Al, Ga, In): Insights for enhanced p-type conductivity

Journal Articles

Deep polaronic acceptors in LiGa₅O₈

John L. Lyons

J. Appl. Phys. 135, 165705 (2024)

https://doi.org/10.1063/5.0204688

Published: April 2024

View article titled, Deep polaronic acceptors in LiGa5O8

Journal Articles

Photoluminescence from Cd_Ga and Hg_Ga acceptors in GaN

M. A. Reshchikov, O. Andrieiev, M. Vorobiov, D. O. Demchenko, B. McEwen, F. Shahedipour-Sandvik

J. Appl. Phys. 135, 155706 (2024)

https://doi.org/10.1063/5.0202741

Published: April 2024

View article titled, Photoluminescence from CdGa and HgGa acceptors in GaN

Journal Articles

First-principles calculations of defects and electron–phonon interactions: Seminal contributions of Audrius Alkauskas to the understanding of recombination processes

Xie Zhang, Mark E. Turiansky, Lukas Razinkovas, Marek Maciaszek, Peter Broqvist, Qimin Yan, John L. Lyons, Cyrus E. Dreyer, Darshana Wickramaratne, Ádám Gali, Alfredo Pasquarello, Chris G. Van de Walle

J. Appl. Phys. 135, 150901 (2024)

https://doi.org/10.1063/5.0205525

Published: April 2024

View article titled, First-principles calculations of defects and electron–phonon interactions: Seminal contributions of Audrius Alkauskas to the understanding of recombination processes

Journal Articles

Nonempirical semilocal density functionals for correcting the self-interaction of polaronic states

Stefano Falletta, Alfredo Pasquarello

J. Appl. Phys. 135, 131101 (2024)

https://doi.org/10.1063/5.0197658

Published: April 2024

View article titled, Nonempirical semilocal density functionals for correcting the self-interaction of polaronic states

Journal Articles

First-principles study of hydrogen- and oxygen-related complexes in ScN

Andrew J. E. Rowberg, Sai Mu, Chris G. Van de Walle

J. Appl. Phys. 135, 125701 (2024)

https://doi.org/10.1063/5.0198147

Published: March 2024

View article titled, First-principles study of hydrogen- and oxygen-related complexes in ScN

Journal Articles

Native point defects in HgCdTe infrared detector material: Identifying deep centers from first principles

Wei Chen, Gian-Marco Rignanese, Jifeng Liu, Geoffroy Hautier

J. Appl. Phys. 135, 114502 (2024)

https://doi.org/10.1063/5.0187006

Published: March 2024

View article titled, Native point defects in HgCdTe infrared detector material: Identifying deep centers from first principles

Journal Articles

Undoing band anticrossing in highly mismatched alloys by atom arrangement

Qian Meng, Seth R. Bank, Mark A. Wistey

J. Appl. Phys. 135, 113101 (2024)

https://doi.org/10.1063/5.0179255

Published: March 2024

View article titled, Undoing band anticrossing in highly mismatched alloys by atom arrangement

Journal Articles

Dangling bonds, the charge neutrality level, and band alignment in semiconductors

J. B. Varley, J. R. Weber, A. Janotti, C. G. Van de Walle

J. Appl. Phys. 135, 075703 (2024)

https://doi.org/10.1063/5.0190043

Published: February 2024

View article titled, Dangling bonds, the charge neutrality level, and band alignment in semiconductors

Journal Articles

First-principles prediction of energy bandgaps in 18-valence electron semiconducting half-Heusler compounds: Exploring the role of exchange and correlation

Emel Gürbüz, Murat Tas, Ersoy Şaşıoğlu, Ingrid Mertig, Biplab Sanyal, Iosif Galanakis

J. Appl. Phys. 134, 205703 (2023)

https://doi.org/10.1063/5.0178165

Published: November 2023

View article titled, First-principles prediction of energy bandgaps in 18-valence electron semiconducting half-Heusler compounds: Exploring the role of exchange and correlation

Includes: Supplementary data

Journal Articles

Oxygen-vacancy defect in 4H-SiC as a near-infrared emitter: An ab initio study

Takuma Kobayashi, Takayoshi Shimura, Heiji Watanabe

J. Appl. Phys. 134, 145701 (2023)

https://doi.org/10.1063/5.0169147

Published: October 2023

View article titled, Oxygen-vacancy defect in 4H-SiC as a near-infrared emitter: An ab initio study

Journal Articles

Flexibility and anisotropy of MX₃ (M = Zr, Hf; X = S, Se): New semiconductors with high photovoltaic performance

Qiyi Zhao, Yani Ren, Lu Li, Chuan He, Junling Che, Rongkai Jia, Yonggang Xu, Lipeng Zhu, Xinlong Xu

J. Appl. Phys. 134, 124302 (2023)

https://doi.org/10.1063/5.0164156

Published: September 2023

View article titled, Flexibility and anisotropy of MX3 (M = Zr, Hf; X = S, Se): New semiconductors with high photovoltaic performance

Includes: Supplementary data

Journal Articles

Identification of intrinsic defects and hydrogen passivation in InP using hybrid functional

Jinhong Liu, Yang Song, Xiaodong Xu, Weiqi Li, Jianqun Yang, Xingji Li

J. Appl. Phys. 134, 115702 (2023)

https://doi.org/10.1063/5.0164899

Published: September 2023

View article titled, Identification of intrinsic defects and hydrogen passivation in InP using hybrid functional

Journal Articles

Atomistic models of In and Ga diffusion in Cu(In,Ga)Se₂

Aaron S. Gehrke, David E. Sommer, Scott T. Dunham

J. Appl. Phys. 134, 115002 (2023)

https://doi.org/10.1063/5.0160330

Published: September 2023

View article titled, Atomistic models of In and Ga diffusion in Cu(In,Ga)Se2

NARROW

Topics

Addressing accuracy by prescribing precision: Bayesian error estimation of point defect energetics

Dipole engineering to achieve interface dependent electric contact in Janus MoSO/graphene heterostructure

Electronic properties and formation energy of chalcogen-doped (S/Se/Te) corundum Al₂O₃

First-principles calculations on charge states and solubility of impurity defects in BaTiO₃

Achieving n-type doped monoclinic ( In x Al 1 - x ) 2 O 3 alloys

DFT + U accurate for strain effect and overall properties of perovskite oxide ferroelectrics and polaron

Hydrogen passivation of acceptor defects in delafossite CuMO₂ (M = Al, Ga, In): Insights for enhanced p-type conductivity

Deep polaronic acceptors in LiGa₅O₈

Photoluminescence from Cd_Ga and Hg_Ga acceptors in GaN

First-principles calculations of defects and electron–phonon interactions: Seminal contributions of Audrius Alkauskas to the understanding of recombination processes

Nonempirical semilocal density functionals for correcting the self-interaction of polaronic states

First-principles study of hydrogen- and oxygen-related complexes in ScN

Native point defects in HgCdTe infrared detector material: Identifying deep centers from first principles

Undoing band anticrossing in highly mismatched alloys by atom arrangement

Dangling bonds, the charge neutrality level, and band alignment in semiconductors

First-principles prediction of energy bandgaps in 18-valence electron semiconducting half-Heusler compounds: Exploring the role of exchange and correlation

Oxygen-vacancy defect in 4H-SiC as a near-infrared emitter: An ab initio study

Flexibility and anisotropy of MX₃ (M = Zr, Hf; X = S, Se): New semiconductors with high photovoltaic performance

Identification of intrinsic defects and hydrogen passivation in InP using hybrid functional

Atomistic models of In and Ga diffusion in Cu(In,Ga)Se₂

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

This Feature Is Available To Subscribers Only