Energetics of intrinsic point defects in aluminium via orbital-free density functional theory

The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics ◽

10.1080/14786435.2017.1328139 ◽

2017 ◽

Vol 97 (25) ◽

pp. 2164-2181 ◽

Author(s):

Ruizhi Qiu ◽

Haiyan Lu ◽

Bingyun Ao ◽

Li Huang ◽

Tao Tang ◽

...

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Functional Theory ◽

Intrinsic Point Defects ◽

Download Full-text

Density functional theory study on concentration of intrinsic point defects in growing N-doped Czochralski Si crystal

Journal of Crystal Growth ◽

10.1016/j.jcrysgro.2021.126249 ◽

2021 ◽

pp. 126249

Author(s):

Motoharu Taniguchi ◽

Koji Sueoka ◽

Masataka Hourai

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Intrinsic Point Defects

Download Full-text

Density functional theory study of dopant and thermal stress effect on forming intrinsic point defects in Ge crystal

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2016.29.060 ◽

2016 ◽

Vol 2016.29 (0) ◽

pp. 060

Author(s):

Shunta YAMAOKA ◽

Koji KOBAYASHI ◽

Koji SUEOKA

Keyword(s):

Density Functional Theory ◽

Thermal Stress ◽

Point Defects ◽

Density Functional ◽

Stress Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

Intrinsic Point Defects

Download Full-text

Intrinsic point defects in CuInSe2and CuGaSe2as seen via screened-exchange hybrid density functional theory

Physical Review B ◽

10.1103/physrevb.87.245203 ◽

2013 ◽

Vol 87 (24) ◽

Author(s):

Johan Pohl ◽

Karsten Albe

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Intrinsic Point Defects ◽

Screened Exchange ◽

Hybrid Density Functional

Download Full-text

Formation entropies of intrinsic point defects in cubic In2O3 from first-principles density functional theory calculations

Physical Chemistry Chemical Physics ◽

10.1039/b900280d ◽

2009 ◽

Vol 11 (17) ◽

pp. 3226 ◽

Author(s):

Péter Ágoston ◽

Karsten Albe

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

First Principles ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Intrinsic Point Defects

Download Full-text

Ferromagnetism in CdOX (X=Mn and N) with and without intrinsic point defects: A density functional theory

Results in Physics ◽

10.1016/j.rinp.2013.09.009 ◽

2013 ◽

Vol 3 ◽

pp. 205-208 ◽

Author(s):

Z. Nabi ◽

S. Amari ◽

S. Méçabih ◽

A. Zaoui ◽

B. Abbar ◽

...

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Functional Theory ◽

Intrinsic Point Defects

Download Full-text

Review—Properties of Intrinsic Point Defects in Si and Ge Assessed by Density Functional Theory

ECS Journal of Solid State Science and Technology ◽

10.1149/2.0251604jss ◽

2016 ◽

Vol 5 (4) ◽

pp. P3176-P3195 ◽

Author(s):

Koji Sueoka ◽

Eiji Kamiyama ◽

Piotr Śpiewak ◽

Jan Vanhellemont

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Functional Theory ◽

Intrinsic Point Defects

Download Full-text

Intrinsic point defects in β-In2S3 studied by means of hybrid density-functional theory

Journal of Applied Physics ◽

10.1063/1.5020376 ◽

2018 ◽

Vol 123 (10) ◽

pp. 103103 ◽

Author(s):

Elaheh Ghorbani ◽

Karsten Albe

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Intrinsic Point Defects ◽

Hybrid Density Functional

Download Full-text

(Invited) A Density Functional Theory Study of the Effect of Pressure on the Formation and Migration Enthalpies of Intrinsic Point Defects in Growing Si Single Crystals

ECS Transactions ◽

10.1149/05005.0043ecst ◽

2013 ◽

Vol 50 (5) ◽

pp. 43-52 ◽

Author(s):

K. Sueoka ◽

E. Kamiyama ◽

H. Kariyazaki ◽

J. Vanhellemont

Keyword(s):

Density Functional Theory ◽

Single Crystals ◽

Point Defects ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Effect Of Pressure ◽

Intrinsic Point Defects ◽

Download Full-text

A Study on Density Functional Theory of the effect of Pressure on the Formation and Activation Enthalpies of Intrinsic Point Defects in Growing Single Crystal Si

ECS Meeting Abstracts ◽

10.1149/ma2012-02/32/2628 ◽

2012 ◽

Keyword(s):

Density Functional Theory ◽

Single Crystal ◽

Point Defects ◽

Density Functional ◽

Functional Theory ◽

Effect Of Pressure ◽

Intrinsic Point Defects

Download Full-text

Density functional theory study of dopant effect on formation energy of intrinsic point defects in germanium crystals

Journal of Crystal Growth ◽

10.1016/j.jcrysgro.2016.11.072 ◽

2017 ◽

Vol 474 ◽

pp. 104-109 ◽

Author(s):

S. Yamaoka ◽

K. Kobayashi ◽

K. Sueoka ◽

J. Vanhellemont

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Formation Energy ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dopant Effect ◽

Intrinsic Point Defects

Download Full-text