First principles study of Si-doped BC2N nanotubes

The Journal of Chemical Physics ◽

10.1063/1.3089357 ◽

2009 ◽

Vol 130 (11) ◽

pp. 114710 ◽

Author(s):

C. J. Rupp ◽

J. Rossato ◽

R. J. Baierle

Keyword(s):

First Principles ◽

First Principles Study ◽

Si Doped ◽

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First principles study on the electronic and optical properties of Al- and Si-doped ZnO with GGA and mBJ approximations

Optical and Quantum Electronics ◽

10.1007/s11082-014-0052-7 ◽

2014 ◽

Vol 47 (7) ◽

pp. 1869-1880 ◽

Author(s):

A. Abbassi ◽

H. Ez-Zahraouy ◽

A. Benyoussef

Keyword(s):

Optical Properties ◽

First Principles ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Si Doped ◽

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The structure, stability, and electronic properties of ultra-thin BC2N nanotubes: a first-principles study

Journal of Molecular Modeling ◽

10.1007/s00894-014-2536-6 ◽

2014 ◽

Vol 20 (12) ◽

Author(s):

Yue Wang ◽

Juan Zhang ◽

Gang Huang ◽

Xinhua Yao ◽

Qingyi Shao

Keyword(s):

Electronic Properties ◽

First Principles ◽

Structure Stability ◽

First Principles Study ◽

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Si-doped MoS2 sheet as phosgene gas sensor: A first principles study

10.1063/1.5113277 ◽

2019 ◽

Author(s):

Archana Sharma ◽

Md. Shahzad Khan ◽

Anurag Srivastava ◽

Mohd. Shahid Khan ◽

Mushahid Husain

Keyword(s):

First Principles ◽

First Principles Study ◽

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Stacking fault energies in Si doped GaN: A first principles study

Applied Physics Letters ◽

10.1063/1.127035 ◽

2000 ◽

Vol 77 (4) ◽

pp. 534-536 ◽

Author(s):

J. A. Chisholm ◽

P. D. Bristowe

Keyword(s):

First Principles ◽

Stacking Fault ◽

First Principles Study ◽

Si Doped ◽

Stacking Fault Energies

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First-principles study of oxidized BC2N nanotubes

International Journal of Quantum Chemistry ◽

10.1002/qua.24190 ◽

2012 ◽

Vol 112 (20) ◽

pp. 3312-3319 ◽

Author(s):

Caroline Jaskulski Rupp ◽

Jussane Rossato ◽

Rogério José Baierle

Keyword(s):

First Principles ◽

First Principles Study ◽

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First Principles Study on Elastic Constants, Ferromagnetism and Electronic Structures of Alloyed Fe 3 Si Doped with Mo, Ti or Nb

Chinese Physics Letters ◽

10.1088/0256-307x/30/12/127104 ◽

2013 ◽

Vol 30 (12) ◽

pp. 127104

Author(s):

Rui Ma ◽

Quan Xie ◽

Jin Huang ◽

Xiao-Tian Guo ◽

Wan-Jun Yan

Keyword(s):

Elastic Constants ◽

First Principles ◽

Electronic Structures ◽

First Principles Study ◽

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First-principles study of electronic properties of Si doped FeSe0.9 alloys

10.1063/1.4947999 ◽

2016 ◽

Author(s):

Sandeep Kumar ◽

Prabhakar P. Singh

Keyword(s):

Electronic Properties ◽

First Principles ◽

First Principles Study ◽

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A first-principles study on ferroelectric phase formation of Si-doped HfO2 through nucleation and phase transition in thermal process

Applied Physics Letters ◽

10.1063/5.0035139 ◽

2020 ◽

Vol 117 (25) ◽

pp. 252904

Author(s):

Jixuan Wu ◽

Fei Mo ◽

Takuya Saraya ◽

Toshiro Hiramoto ◽

Masaharu Kobayashi

Keyword(s):

Phase Transition ◽

Phase Formation ◽

First Principles ◽

Thermal Process ◽

Ferroelectric Phase ◽

First Principles Study ◽

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First principles study of crystal Si-doped Ge 2 Sb 2 Te 5

Solid State Communications ◽

10.1016/j.ssc.2017.01.001 ◽

2017 ◽

Vol 252 ◽

pp. 6-10 ◽

Author(s):

Beibei Yan ◽

Fei Yang ◽

Tian Chen ◽

Minglei Wang ◽

Hong Chang ◽

...

Keyword(s):

First Principles ◽

First Principles Study ◽

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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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