Magnetic anisotropy of transition-metal dimers: Density functional calculations

Piotr Błoński; Jürgen Hafner

doi:10.1103/physrevb.79.224418

Magnetic anisotropy of transition-metal dimers: Density functional calculations

Physical Review B ◽

10.1103/physrevb.79.224418 ◽

2009 ◽

Vol 79 (22) ◽

Cited By ~ 95

Author(s):

Piotr Błoński ◽

Jürgen Hafner

Keyword(s):

Transition Metal ◽

Magnetic Anisotropy ◽

Density Functional Calculations ◽

Density Functional

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Density Functional Calculations of EPR Parameter g Tensors of Some Transition Metal Complexes

Indian Journal Of Applied Research ◽

10.15373/2249555x/nov2012/52 ◽

2011 ◽

Vol 2 (2) ◽

pp. 139-141

Author(s):

Vinita Prajapati ◽

◽

P.L.Verma P.L.Verma ◽

Dhirendra Prajapati ◽

B.K.Gupta B.K.Gupta

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Functional Calculations ◽

Density Functional

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Density functional calculations on the structure, bonding and magnetic properties of the transition metal atom doped endohedral fullerene Ni@C20H20

Acta Physica Sinica ◽

10.7498/aps.58.4567 ◽

2009 ◽

Vol 58 (7) ◽

pp. 4567

Author(s):

Tang Chun-Mei ◽

Zhu Wei-Hua ◽

Deng Kai-Ming

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

Metal Atom ◽

Density Functional Calculations ◽

Density Functional ◽

Transition Metal Atom ◽

Endohedral Fullerene

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Relativistic Density Functional Calculations on Transition-Metal and Lanthanide Compounds

Selective Reactions of Metal-Activated Molecules ◽

10.1007/978-3-662-00975-8_46 ◽

1998 ◽

pp. 297-300

Author(s):

Christoph van Wüllen

Keyword(s):

Transition Metal ◽

Density Functional Calculations ◽

Density Functional

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'Perfect Match'—Combining Density Functional Calculations with Spectroscopic Characterization of Transition Metal Clusters

Australian Journal of Chemistry ◽

10.1071/ch05048 ◽

2005 ◽

Vol 58 (7) ◽

pp. 564 ◽

Cited By ~ 1

Author(s):

Magdalene A. Addicoat

Keyword(s):

Transition Metal ◽

Density Functional Calculations ◽

Density Functional ◽

Metal Clusters ◽

Perfect Match ◽

Spectroscopic Characterization ◽

Transition Metal Clusters

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A spin density functional calculations in electronic structures and magnetic properties of transition metal doped GaP

Chemical Physics ◽

10.1016/j.chemphys.2019.04.007 ◽

2019 ◽

Vol 523 ◽

pp. 57-62 ◽

Cited By ~ 1

Author(s):

W. Sukkabot

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

Spin Density ◽

Electronic Structures ◽

Density Functional Calculations ◽

Density Functional ◽

Metal Doped

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Exchange coupling and contribution of induced orbital angular momentum of low-spinFe3+ions to magnetic anisotropy in cyanide-bridgedFe2M2molecular magnets: Spin-polarized density-functional calculations

Physical Review B ◽

10.1103/physrevb.74.224440 ◽

2006 ◽

Vol 74 (22) ◽

Cited By ~ 19

Author(s):

Kyungwha Park ◽

Stephen M. Holmes

Keyword(s):

Angular Momentum ◽

Magnetic Anisotropy ◽

Orbital Angular Momentum ◽

Density Functional Calculations ◽

Exchange Coupling ◽

Density Functional ◽

Spin Polarized

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Correlated electronic structures of group-V transition metal dichalcogenide monolayers from hybrid density-functional calculations

Superlattices and Microstructures ◽

10.1016/j.spmi.2016.10.063 ◽

2016 ◽

Vol 100 ◽

pp. 997-1005 ◽

Cited By ~ 4

Author(s):

Peng-Ru Huang ◽

Qing-Yuan Chen ◽

Hridis K. Pal ◽

Markus Kindermann ◽

Chao Cao ◽

...

Keyword(s):

Transition Metal ◽

Electronic Structures ◽

Density Functional Calculations ◽

Density Functional ◽

Transition Metal Dichalcogenide ◽

Group V ◽

Hybrid Density Functional

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Theoretical insights into the origin of magnetic exchange and magnetic anisotropy in {ReIV–MII} (M = Mn, Fe, Co, Ni and Cu) single chain magnets

Dalton Transactions ◽

10.1039/c5dt04928h ◽

2016 ◽

Vol 45 (19) ◽

pp. 8201-8214 ◽

Cited By ~ 8

Author(s):

Saurabh Kumar Singh ◽

Kuduva R. Vignesh ◽

Velloth Archana ◽

Gopalan Rajaraman

Keyword(s):

Magnetic Anisotropy ◽

Exchange Interaction ◽

Density Functional Calculations ◽

Density Functional ◽

Magnetic Coupling ◽

Single Chain ◽

Magnetic Exchange Interaction ◽

Magnetic Exchange ◽

Single Chain Magnets

Density functional calculations have been performed on a series of {ReIV–MII} (M = Mn(1), Fe(2), Co(3), Ni(4), Cu(5)) complexes to compute the magnetic exchange interaction between the ReIV and MII ions, and understand the mechanism of magnetic coupling in this series.

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Localized orbital corrections for density functional calculations on transition metal containing systems

Coordination Chemistry Reviews ◽

10.1016/j.ccr.2017.02.014 ◽

2017 ◽

Vol 344 ◽

pp. 205-213 ◽

Cited By ~ 2

Author(s):

Richard A. Friesner ◽

Steven V. Jerome

Keyword(s):

Transition Metal ◽

Density Functional Calculations ◽

Density Functional ◽

Localized Orbital

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Reactions of Group 3 Transition Metal Atoms with CS2and OCS: Matrix Isolation Infrared Spectra and Density-Functional Calculations of SMCS, SM-(η2-CS), SMCO, and SM-(η2-CO) in Solid Argon

The Journal of Physical Chemistry A ◽

10.1021/jp063090o ◽

2006 ◽

Vol 110 (35) ◽

pp. 10419-10426 ◽

Cited By ~ 4

Author(s):

Alexander B. Baker ◽

Lester Andrews

Keyword(s):

Transition Metal ◽

Infrared Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Matrix Isolation ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Group 3 ◽

Solid Argon

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