Preferential Growth Mode of Large-Sized Vacancy Clusters in Silicon: A Neural-Network Potential and First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c07973 ◽

2021 ◽

Author(s):

Takuto Ushiro ◽

Tatsuya Yokoi ◽

Yusuke Noda ◽

Eiji Kamiyama ◽

Masato Ohbitsu ◽

...

Keyword(s):

Neural Network ◽

First Principles ◽

Growth Mode ◽

Preferential Growth ◽

Vacancy Clusters ◽

First Principles Study

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First-principles study of vacancy, interstitial, noble gas atom interstitial and vacancy clusters in bcc-W

Computational Materials Science ◽

10.1016/j.commatsci.2016.06.022 ◽

2016 ◽

Vol 123 ◽

pp. 121-130 ◽

Cited By ~ 29

Author(s):

Gui-Yang Huang ◽

Niklas Juslin ◽

Brian D. Wirth

Keyword(s):

First Principles ◽

Noble Gas ◽

Vacancy Clusters ◽

First Principles Study

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Energetics of the growth mode transition in InAs/GaAs(001) small quantum dot formation: A first-principles study

Surface Science ◽

10.1016/j.susc.2006.02.031 ◽

2006 ◽

Vol 600 (10) ◽

pp. 2007-2010 ◽

Cited By ~ 9

Author(s):

En-Zuo Liu ◽

Chong-Yu Wang

Keyword(s):

Quantum Dot ◽

First Principles ◽

Growth Mode ◽

Mode Transition ◽

First Principles Study ◽

Small Quantum

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Strain effects on the stability and structure of vacancy clusters in Si: A first-principles study

Physical Review B ◽

10.1103/physrevb.81.245206 ◽

2010 ◽

Vol 81 (24) ◽

Cited By ~ 2

Author(s):

Robert J. Bondi ◽

Sangheon Lee ◽

Gyeong S. Hwang

Keyword(s):

First Principles ◽

Strain Effects ◽

Vacancy Clusters ◽

First Principles Study ◽

The Stability

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

Insight Into

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

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Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Cited By ~ 1

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Cited By ~ 1

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

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Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽

10.1063/1.4936636 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117147 ◽

Cited By ~ 22

Author(s):

Do Duc Cuong ◽

S. H. Rhim ◽

Joo-Hyong Lee ◽

Soon Cheol Hong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Strain Effect ◽

First Principles Study

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External uniaxial compressive strain induced built-in electric field in bilayer two-dimensional As2S3 for photocatalytic water splitting: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2020.147701 ◽

2021 ◽

Vol 535 ◽

pp. 147701 ◽

Cited By ~ 1

Author(s):

Xuefei Liu ◽

Bing Lv ◽

Zhao Ding ◽

Zijiang Luo

Keyword(s):

Electric Field ◽

Water Splitting ◽

First Principles ◽

Compressive Strain ◽

Two Dimensional ◽

Photocatalytic Water Splitting ◽

First Principles Study

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