First-Principles Studies of the Al, Ga, In-Doped ZnO Defect Formation Energy

雨杭 祁

doi:10.12677/app.2016.62003

First-Principles Studies of the Al, Ga, In-Doped ZnO Defect Formation Energy

Applied Physics ◽

10.12677/app.2016.62003 ◽

2016 ◽

Vol 06 (02) ◽

pp. 15-21

Author(s):

雨杭祁

Keyword(s):

First Principles ◽

Formation Energy ◽

Defect Formation ◽

Defect Formation Energy ◽

Doped Zno

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Defect formation energy and magnetic properties of off-stoichiometric Ni-Mn-In alloys by first-principles calculations

Journal of Applied Physics ◽

10.1063/1.4803139 ◽

2013 ◽

Vol 113 (17) ◽

pp. 174901 ◽

Cited By ~ 6

Author(s):

J. Bai ◽

N. Xu ◽

J.-M. Raulot ◽

Y. D. Zhang ◽

C. Esling ◽

...

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Formation Energy ◽

Defect Formation ◽

First Principles Calculations ◽

Defect Formation Energy

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First-principles investigation of magnetic property and defect formation energy in Ni-Mn-Ga ferromagnetic shape memory alloy

International Journal of Quantum Chemistry ◽

10.1002/qua.24158 ◽

2012 ◽

Vol 113 (6) ◽

pp. 847-851 ◽

Cited By ~ 9

Author(s):

Jing Bai ◽

Nan Xu ◽

Jean-Marc Raulot ◽

Claude Esling ◽

Xiang Zhao ◽

...

Keyword(s):

Magnetic Property ◽

Shape Memory Alloy ◽

Shape Memory ◽

First Principles ◽

Formation Energy ◽

Defect Formation ◽

Ferromagnetic Shape Memory Alloy ◽

Defect Formation Energy ◽

Ferromagnetic Shape Memory

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First-principles calculations of defect formation energy and carrier concentration of Ti4+, Ta5+ and W6+ doped KSr2Nb5O15

Computational Materials Science ◽

10.1016/j.commatsci.2019.109427 ◽

2020 ◽

Vol 173 ◽

pp. 109427

Author(s):

Qian Chen ◽

Ruizhi Zhang ◽

Jie Xu ◽

Shuyao Cao ◽

Yiting Guo ◽

...

Keyword(s):

Carrier Concentration ◽

First Principles ◽

Formation Energy ◽

Defect Formation ◽

First Principles Calculations ◽

Defect Formation Energy

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First-principles calculation of defect formation energy in chalcopyrite-type CuInSe2, CuGaSe2 and CuAlSe2

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2005.09.067 ◽

2005 ◽

Vol 66 (11) ◽

pp. 1924-1927 ◽

Cited By ~ 37

Author(s):

Tsuyoshi Maeda ◽

Takahiro Wada

Keyword(s):

First Principles ◽

Formation Energy ◽

Defect Formation ◽

First Principles Calculation ◽

Defect Formation Energy

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Topological description of the Stone-Wales defect formation energy in carbon nanotubes and graphene

Physical Review B ◽

10.1103/physrevb.79.155421 ◽

2009 ◽

Vol 79 (15) ◽

Cited By ~ 63

Author(s):

Elif Ertekin ◽

D. C. Chrzan ◽

Murray S. Daw

Keyword(s):

Carbon Nanotubes ◽

Formation Energy ◽

Defect Formation ◽

Defect Formation Energy ◽

Topological Description ◽

Wales Defect

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Defect formation energy and magnetic structure of shape memory alloys Ni–X–Ga (X=Mn, Fe, Co) by first principle calculation

Journal of Applied Physics ◽

10.1063/1.3463391 ◽

2010 ◽

Vol 108 (6) ◽

pp. 064904 ◽

Cited By ~ 31

Author(s):

J. Bai ◽

J. M. Raulot ◽

Y. D. Zhang ◽

C. Esling ◽

X. Zhao ◽

...

Keyword(s):

Shape Memory Alloys ◽

Shape Memory ◽

Magnetic Structure ◽

Formation Energy ◽

Defect Formation ◽

First Principle ◽

Defect Formation Energy ◽

Principle Calculation ◽

First Principle Calculation

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Tuning magnetism by biaxial strain in native ZnO

Physical Chemistry Chemical Physics ◽

10.1039/c5cp00364d ◽

2015 ◽

Vol 17 (25) ◽

pp. 16536-16544 ◽

Cited By ~ 11

Author(s):

Chengxiao Peng ◽

Yuanxu Wang ◽

Zhenxiang Cheng ◽

Guangbiao Zhang ◽

Chao Wang ◽

...

Keyword(s):

Formation Energy ◽

Defect Formation ◽

Biaxial Strain ◽

Defect Formation Energy

Strain conditions have little effect on the defect formation energy of Zn and O vacancies in ZnO, but they do affect the magnetism significantly.

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Molecular-dynamics simulation of defect formation energy in boron nitride nanotubes

Physics Letters A ◽

10.1016/j.physleta.2003.12.002 ◽

2004 ◽

Vol 320 (5-6) ◽

pp. 446-451 ◽

Cited By ~ 21

Author(s):

Won Ha Moon ◽

Ho Jung Hwang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Boron Nitride ◽

Formation Energy ◽

Defect Formation ◽

Boron Nitride Nanotubes ◽

Dynamics Simulation ◽

Defect Formation Energy

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Defect formation and magnetic properties of carbon-doped ZnO nanowires by the first principles

Solid State Sciences ◽

10.1016/j.solidstatesciences.2012.10.009 ◽

2013 ◽

Vol 16 ◽

pp. 21-28 ◽

Cited By ~ 7

Author(s):

Li-Bin Shi ◽

Ming-Biao Li ◽

Ying Fei

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Defect Formation ◽

Zno Nanowires ◽

Carbon Doped ◽

Doped Zno

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Defect formation energy for charge states and electrophysical properties of CdMnTe

10.1117/12.2073343 ◽

2015 ◽

Cited By ~ 1

Author(s):

M. A. Mehrabova ◽

H. R. Nuriyev ◽

H. S. Orujov ◽

A. M. Nazarov ◽

R. M. Sadigov ◽

...

Keyword(s):

Formation Energy ◽

Defect Formation ◽

Electrophysical Properties ◽

Defect Formation Energy ◽

Charge States

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