(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

K. Sueoka; E. Kamiyama; H. Kariyazaki; J. Vanhellemont

doi:10.1149/05005.0043ecst

(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 ◽

Cited By ~ 2

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 ◽

And Migration

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A study on density functional theory of the effect of pressure on the formation and migration enthalpies of intrinsic point defects in growing single crystal Si

Journal of Applied Physics ◽

10.1063/1.4712632 ◽

2012 ◽

Vol 111 (9) ◽

pp. 093529 ◽

Cited By ~ 23

Author(s):

Koji Sueoka ◽

Eiji Kamiyama ◽

Hiroaki Kariyazaki

Keyword(s):

Density Functional Theory ◽

Single Crystal ◽

Point Defects ◽

Density Functional ◽

Functional Theory ◽

Effect Of Pressure ◽

Intrinsic Point Defects ◽

And Migration

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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

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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

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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

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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 ◽

Cited By ~ 2

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

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Single-site point defects in semimetal WTe2: A density functional theory study

AIP Advances ◽

10.1063/1.5057723 ◽

2018 ◽

Vol 8 (12) ◽

pp. 125323 ◽

Cited By ~ 1

Author(s):

Hong-Yue Song ◽

Jing-Tao Lü

Keyword(s):

Density Functional Theory ◽

Point Defects ◽

Density Functional ◽

Single Site ◽

Density Functional Theory Study ◽

Functional Theory

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Adsorption and migration growth of the Ce, O, and F adatoms on the CeO 2 (111) surface: A density functional theory study

Surface and Interface Analysis ◽

10.1002/sia.6762 ◽

2020 ◽

Vol 52 (8) ◽

pp. 493-498

Author(s):

Huiling Jia ◽

Hao Chen ◽

Jinxiu Wu ◽

Xin Tan ◽

Mei Li ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

And Migration

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Density functional theory study of point defects in the Si?SiO2 system and in substoichiometric titanium dioxide TiO2?x

International Journal of Quantum Chemistry ◽

10.1002/qua.10846 ◽

2004 ◽

Vol 99 (5) ◽

pp. 677-684 ◽

Cited By ~ 9

Author(s):

N. Capron ◽

G. Boureau

Keyword(s):

Density Functional Theory ◽

Titanium Dioxide ◽

Point Defects ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Sio2 System

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Effect of point defects on acetylene hydrogenation reaction over Ni(111) surface: a density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03599a ◽

2021 ◽

Author(s):

Pan Yin ◽

Yao Jie ◽

Xiao-Jie Zhao ◽

Yu-Liang Feng ◽

Tao Sun ◽

...

Keyword(s):

Density Functional Theory ◽

Dft Calculations ◽

Point Defects ◽

Density Functional ◽

Hydrogenation Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Acetylene Hydrogenation

Density functional theory (DFT) calculations are carried out to investigate the effect of point defects on acetylene hydrogenation reaction over Ni(111) surface with three different defect concentrations (DC = 0.0500, 0.0625, and 0.0833), compared with the perfect Ni(111) surface.

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