A Density Functional Theory Study of the Fe(001)/Fe3O4(001) Interface

Solid State Phenomena ◽

10.4028/www.scientific.net/ssp.194.288 ◽

2012 ◽

Vol 194 ◽

pp. 288-291

Author(s):

Irina A. Shikhman ◽

Marina G. Shelyapina ◽

Galina S. Kupriyanova

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Tunnel Junction ◽

Density Functional ◽

Magnetic Tunnel Junction ◽

Density Functional Theory Study ◽

Promising Candidate ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Magnetite is a very promising candidate for hard electrode in magnetic tunnel junction devices due to its electronic and magnetic properties. Addition of a buffer iron layer improves required properties. Here we report on the results of our DFT study of the impact of the additional Fe buffer layer on the electronic and magnetic properties of magnetite.

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

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Structural, optical, electronic, and magnetic properties of Ag-Cu bimetallic clusters: a density functional theory study

Journal of Nanoparticle Research ◽

10.1007/s11051-018-4292-5 ◽

2018 ◽

Vol 20 (7) ◽

Author(s):

Li Wei-yin ◽

Zhang Sha ◽

Hai Lian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Bimetallic Clusters ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties

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A density functional theory study of structural, electronic and magnetic properties of small PdnAg (n = 1–8) clusters

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2018.01.005 ◽

2018 ◽

Vol 1125 ◽

pp. 103-111 ◽

Author(s):

Faisal Al-Odail ◽

Javed Mazher ◽

Ahmed M. Abuelela

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties

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Electronic and Magnetic Properties of the Bulk and Surfaces of Rock salt KM (M = Se and Te): A Density Functional Theory Study

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-015-3245-9 ◽

2015 ◽

Vol 29 (1) ◽

pp. 215-226 ◽

Author(s):

Mohammad Rostami ◽

Mahmood Moradi

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Rock Salt ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties

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Density functional theory study of small X-doped Mg n (X = Fe, Co, Ni, n = 1–9) bimetallic clusters: equilibrium structures, stabilities, electronic and magnetic properties

Journal of Molecular Modeling ◽

10.1007/s00894-014-2087-x ◽

2014 ◽

Vol 20 (3) ◽

Author(s):

Fanjie Kong ◽

Yanfei Hu

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Bimetallic Clusters ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Small X ◽

Equilibrium Structures

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Geometries, stabilities, electronic, and magnetic properties of small aluminum cluster anions doped with iron: A density functional theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.11.002 ◽

2012 ◽

Vol 980 ◽

pp. 7-14 ◽

Author(s):

Chen-Ju Wang ◽

Xiao-Yu Kuang ◽

Huai-Qian Wang ◽

Hui-Fang Li ◽

Ai-Jie Mao

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Cluster Anions ◽

Density Functional Theory Study ◽

Aluminum Cluster ◽

Functional Theory ◽

Electronic And Magnetic Properties

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Geometries, stabilities, electronic and magnetic properties of small aluminum cluster anions doped with cobalt: A density functional theory study

Journal of Structural Chemistry ◽

10.1134/s0022476616010054 ◽

2016 ◽

Vol 57 (1) ◽

pp. 33-46

Author(s):

L. Zhang ◽

C.-Y. Zhang ◽

X.-H. Song ◽

B.-Q. Wang ◽

J. Zhang

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Cluster Anions ◽

Density Functional Theory Study ◽

Aluminum Cluster ◽

Functional Theory ◽

Electronic And Magnetic Properties

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Density functional theory study of the structural, electronic, and magnetic properties of diluteCr−Xalloys(X=Fe,Ru–Sb,Ta)

Physical Review B ◽

10.1103/physrevb.73.165111 ◽

2006 ◽

Vol 73 (16) ◽

Author(s):

S. Javad Hashemifar ◽

Nahid Ghaderi ◽

Sedighe Sirousi ◽

Hadi Akbarzadeh

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties

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A density functional theory study of electronic and magnetic properties of rare earth doped monolayered molybdenum disulphide

Journal of Applied Physics ◽

10.1063/1.4963380 ◽

2016 ◽

Vol 120 (14) ◽

pp. 142124 ◽

Author(s):

Abdul Majid ◽

Anum Imtiaz ◽

Masato Yoshiya

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Molybdenum Disulphide ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Rare Earth Doped

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Electronic and magnetic properties of C-doped Mg3N2: A density functional theory study

Solid State Communications ◽

10.1016/j.ssc.2010.09.039 ◽

2010 ◽

Vol 150 (45-46) ◽

pp. 2223-2226 ◽

Author(s):

C.W. Niu ◽

Kesong Yang ◽

Yingbo Lv ◽

Wei Wei ◽

Ying Dai ◽

...

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties

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