Bulk and surface half-metallicity of CsS in CsCl structure: A density functional theory study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2013.05.171 ◽

2013 ◽

Vol 575 ◽

pp. 301-308 ◽

Author(s):

M. Rostami ◽

M. Afshari ◽

M. Moradi

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Half Metallicity ◽

Functional Theory ◽

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Preserving the Half-Metallicity at the Heusler AlloyCo2MnSi(001)Surface: A Density Functional Theory Study

Physical Review Letters ◽

10.1103/physrevlett.94.096402 ◽

2005 ◽

Vol 94 (9) ◽

Author(s):

S. Javad Hashemifar ◽

Peter Kratzer ◽

Matthias Scheffler

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Half Metallicity ◽

Functional Theory

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The half-metallicity of zinc-blende CaC/GaAs(001) heterojunction: A density functional theory study

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2012.12.019 ◽

2013 ◽

Vol 332 ◽

pp. 81-84 ◽

Author(s):

M. Moradi ◽

A. Mohammadi ◽

M. Afshari ◽

Z. Soltani

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Half Metallicity ◽

Functional Theory ◽

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Density Functional Theory Study of Defect Induced Ferromagnetism and Half-Metallicity in CaI2 Based Monolayer for Spintronics Applications

ACS Applied Nano Materials ◽

10.1021/acsanm.9b00967 ◽

2019 ◽

Vol 2 (10) ◽

pp. 6152-6161 ◽

Author(s):

Gargee Bhattacharyya ◽

Priyanka Garg ◽

Preeti Bhauriyal ◽

Biswarup Pathak

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Half Metallicity ◽

Functional Theory

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Preserving the half metallicity at the interface of zinc-blende CrSb/Ga0.87In0.13As heterojunction: A density functional theory study

Journal of Applied Physics ◽

10.1063/1.3063810 ◽

2009 ◽

Vol 105 (2) ◽

pp. 023701 ◽

Author(s):

M. Moradi ◽

Z. Soltani

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Half Metallicity ◽

Functional Theory ◽

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Preserving the half-metallicity at the interfaces of zinc-blende MnSb/GaSb heterojunction: A density functional theory study

Computational Materials Science ◽

10.1016/j.commatsci.2014.08.026 ◽

2014 ◽

Vol 95 ◽

pp. 557-562 ◽

Author(s):

N. Liu ◽

G.Y. Gao ◽

J.B. Liu ◽

K.L. Yao

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Half Metallicity ◽

Functional Theory ◽

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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