Spin and orbital magnetism in phthalocyanine functionalized with 3d transition metals: A relativistic density functional theory study

M. Afshar; A. Darabi; H. Moradi

doi:10.1063/1.5040856

Spin and orbital magnetism in phthalocyanine functionalized with 3d transition metals: A relativistic density functional theory study

Journal of Applied Physics ◽

10.1063/1.5040856 ◽

2018 ◽

Vol 124 (10) ◽

pp. 105703

Author(s):

M. Afshar ◽

A. Darabi ◽

H. Moradi

Keyword(s):

Density Functional Theory ◽

Transition Metals ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Orbital Magnetism

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Cubic MgH2 stabilized by alloying with transition metals: A density functional theory study

Acta Materialia ◽

10.1016/j.actamat.2008.02.028 ◽

2008 ◽

Vol 56 (13) ◽

pp. 2948-2954 ◽

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W.P. Kalisvaart ◽

S.X. Tao ◽

M.T.M. Koper ◽

A.P.J. Jansen ◽

...

Keyword(s):

Density Functional Theory ◽

Transition Metals ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides

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10.1063/1.1888370 ◽

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Vol 122 (17) ◽

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Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Transition Metals ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Structures and Properties of β-Titanium Alloys Doped with Trace Transition Metals: A Density Functional Theory Study

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024420100283 ◽

2020 ◽

Vol 94 (10) ◽

pp. 2055-2063

Author(s):

Jia Song ◽

Luyu Wang ◽

Liang Zhang ◽

Kaiqi Wu ◽

Wenheng Wu ◽

...

Keyword(s):

Density Functional Theory ◽

Transition Metals ◽

Titanium Alloys ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structures And Properties

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Spin and orbital magnetism of coinage metal trimers (Cu3, Ag3, Au3): A relativistic density functional theory study

AIP Advances ◽

10.1063/1.4834336 ◽

2013 ◽

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pp. 112122 ◽

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Author(s):

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Mohsen Sargolzaei

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Coinage Metal ◽

Orbital Magnetism

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Magnetic properties of 3d transition metals adsorbed on benzene: a density functional theory study

Journal of Physics Conference Series ◽

10.1088/1742-6596/248/1/012046 ◽

2010 ◽

Vol 248 ◽

pp. 012046

Author(s):

Mahdi Sargolzaei ◽

Farideh Gudarzi

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Transition Metals ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Spin and orbital magnetism of FeBr2: a density functional theory study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/20/02/025217 ◽

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Vol 20 (2) ◽

pp. 025217 ◽

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Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Orbital Magnetism

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Magnetic properties of single 3d transition metals adsorbed on graphene and benzene: A density functional theory study

Journal of Applied Physics ◽

10.1063/1.3636112 ◽

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Author(s):

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Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Transition Metals ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Characterization of methanethiolate on some transition metals: A first-principle density functional theory study

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.04.034 ◽

2008 ◽

Vol 862 (1-3) ◽

pp. 80-84 ◽

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Author(s):

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Keyword(s):

Density Functional Theory ◽

Transition Metals ◽

Density Functional ◽

First Principle ◽

Density Functional Theory Study ◽

Functional Theory ◽

Principle Density Functional Theory

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Spin and orbital magnetism in full Heusler alloys: A density functional theory study ofCo2YZ(Y=Mn,Fe;Z=Al,Si,Ga,Ge)

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10.1103/physrevb.74.224410 ◽

2006 ◽

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Author(s):

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Helmut Eschrig ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Heusler Alloys ◽

Density Functional Theory Study ◽

Functional Theory ◽

Orbital Magnetism ◽

Full Heusler ◽

Full Heusler Alloys

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Characterization of methoxy adsorption on some transition metals: A first principles density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.1839552 ◽

2005 ◽

Vol 122 (4) ◽

pp. 044707 ◽

Cited By ~ 34

Author(s):

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Yu-Hua Zhou ◽

Junji Nakamura

Keyword(s):

Density Functional Theory ◽

Transition Metals ◽

First Principles ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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