Effect of nitrogen impurities on the physical properties of ZnO nanowires: First-principles study

Slimane Haffad; Madani Samah; Giancarlo Cicero

doi:10.1103/physrevb.85.165207

Effect of nitrogen impurities on the physical properties of ZnO nanowires: First-principles study

Physical Review B ◽

10.1103/physrevb.85.165207 ◽

2012 ◽

Vol 85 (16) ◽

Cited By ~ 13

Author(s):

Slimane Haffad ◽

Madani Samah ◽

Giancarlo Cicero

Keyword(s):

Physical Properties ◽

First Principles ◽

Zno Nanowires ◽

First Principles Study

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First-principles study on the physical properties for various anticancer drugs using density functional theory (DFT)

Solid State Communications ◽

10.1016/j.ssc.2020.114160 ◽

2021 ◽

Vol 325 ◽

pp. 114160

Author(s):

Mohammed H. Mohammed ◽

Falah H. Hanoon

Keyword(s):

Density Functional Theory ◽

Physical Properties ◽

Anticancer Drugs ◽

First Principles ◽

Density Functional ◽

Functional Theory ◽

First Principles Study

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Size effects on formation energies and electronic structures of oxygen and zinc vacancies in ZnO nanowires: A first-principles study

Journal of Applied Physics ◽

10.1063/1.3549131 ◽

2011 ◽

Vol 109 (4) ◽

pp. 044306-044306-5 ◽

Cited By ~ 14

Author(s):

D. Q. Fang ◽

R. Q. Zhang

Keyword(s):

First Principles ◽

Size Effects ◽

Electronic Structures ◽

Zno Nanowires ◽

First Principles Study ◽

Formation Energies

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Influence of Bi doping on physical properties of lead halide perovskites: a comparative first-principles study between CsPbI3 and CsPbBr3

Materials Today Advances ◽

10.1016/j.mtadv.2019.100019 ◽

2019 ◽

Vol 3 ◽

pp. 100019 ◽

Cited By ~ 2

Author(s):

Y. Kang ◽

S. Kang ◽

S. Han

Keyword(s):

Physical Properties ◽

First Principles ◽

First Principles Study ◽

Bi Doping ◽

Halide Perovskites ◽

Lead Halide

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Physical Properties of III-Antiminodes — a First Principles Study

Communications in Theoretical Physics ◽

10.1088/0253-6102/52/3/28 ◽

2009 ◽

Vol 52 (3) ◽

pp. 527-533 ◽

Cited By ~ 29

Author(s):

Rashid Ahmed ◽

Fazal-E-Aleem ◽

S. Javad Hashemifar ◽

Haris Rashid ◽

H Akbarzadeh

Keyword(s):

Physical Properties ◽

First Principles ◽

First Principles Study

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First-Principles Study of Fe-Doped ZnO Nanowires

Chinese Physics Letters ◽

10.1088/0256-307x/28/12/126102 ◽

2011 ◽

Vol 28 (12) ◽

pp. 126102 ◽

Cited By ~ 11

Author(s):

Fu-Chun Zhang ◽

Wei-Hu Zhang ◽

Jun-Tang Dong ◽

Zhi-Yong Zhang

Keyword(s):

First Principles ◽

Zno Nanowires ◽

First Principles Study ◽

Doped Zno

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First-principles study on phase stability and physical properties of B-site ordered Nd2FeCrO6 double perovskite

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03523a ◽

2021 ◽

Author(s):

Md. Didarul Islam Bhuyan ◽

Rana Hossain ◽

Ferdous Ara ◽

Mohammed Abdul Basith

Keyword(s):

Electronic Structure ◽

Physical Properties ◽

Structural Stability ◽

Phase Stability ◽

Ground State ◽

First Principles ◽

Magnetic Behavior ◽

Double Perovskite ◽

First Principles Study

Here, the first-principles predictions on the structural stability, magnetic behavior and electronic structure of B-site ordered double perovskite Nd$_2$CrFeO$_6$ have been reported. Initially, the ground state of the parent single...

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Stability and physical properties tuning via interstitials chemical engineering of Zr5Sn3: a first-principles study

Journal of Materials Science ◽

10.1007/s10853-019-03622-5 ◽

2019 ◽

Vol 54 (14) ◽

pp. 10284-10296

Author(s):

Hongmei Chen ◽

Yu Cao ◽

Ke Liu ◽

Xiaoma Tao ◽

Yulu Zhou ◽

...

Keyword(s):

Physical Properties ◽

First Principles ◽

Chemical Engineering ◽

First Principles Study

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Piezoelectricity in ZnO nanowires: A first-principles study

Applied Physics Letters ◽

10.1063/1.2397013 ◽

2006 ◽

Vol 89 (22) ◽

pp. 223111 ◽

Cited By ~ 133

Author(s):

H. J. Xiang ◽

Jinlong Yang ◽

J. G. Hou ◽

Qingshi Zhu

Keyword(s):

First Principles ◽

Zno Nanowires ◽

First Principles Study

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First-principles study on the physical properties of a layered ZnO with hexagonal α-BN structure

Solid State Communications ◽

10.1016/j.ssc.2016.02.015 ◽

2016 ◽

Vol 233 ◽

pp. 41-45

Author(s):

Y.L. Su ◽

Q.Y. Zhang ◽

J.J. Zhao

Keyword(s):

Physical Properties ◽

First Principles ◽

First Principles Study

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Pressure dependence of thermal physical properties of A-type R 2 O 3 (R=Y, La): A first-principles study

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2016.12.001 ◽

2017 ◽

Vol 103 ◽

pp. 49-58 ◽

Cited By ~ 5

Author(s):

Y.F. Li ◽

B. Xiao ◽

L. Sun ◽

Y.M. Gao ◽

S.Q. Ma ◽

...

Keyword(s):

Physical Properties ◽

Pressure Dependence ◽

First Principles ◽

First Principles Study ◽

Thermal Physical Properties

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