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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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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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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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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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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A density functional theory study on structures, stabilities, and electronic and magnetic properties of Au C (n= 1–9) clusters

Chemical Physics ◽

10.1016/j.chemphys.2016.03.009 ◽

2016 ◽

Vol 472 ◽

pp. 50-60 ◽

Author(s):

Xiao-Fei Hou ◽

Li-Li Yan ◽

Teng Huang ◽

Yu Hong ◽

Shou-Kui Miao ◽

...

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties

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