Document
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European Regional Development Fund, FEDER
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type: BFO_0000020
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type: Grant
type: Continuant
funding vehicle for: Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms

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Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms
volume: 134
type: Document
most specific type: Document
related by: authorship_16221
doi: 10.1063/1.3533954
has funding vehicle: SAB2009-0079
issue: 5
estado: published
related by: authorship_16222
type: Entity
abstract: We report a theoretical investigation of free-standing Fe x Co y Ni z ternary clusters with x %2b y %2b z = 5 and 6. Our study is performed within density functional theory as implemented in the GAUSSIAN 03 set of programs and with the BPW91/SDD level of theory. We analyze the geometries, chemical order, local and total magnetic moments, binding energies, excess energies, and second difference in the energy in the whole range of composition, from which structural, magnetic, and stability phase diagrams are predicted for these cluster sizes. We determine the optimal stoichiometries for these clusters as regards the maximum total magnetic moment and stability. © 2011 American Institute of Physics.
artnum: 54101
abstract: We report a theoretical investigation of free-standing Fe x Co y Ni z ternary clusters with x y z = 5 and 6. Our study is performed within density functional theory as implemented in the GAUSSIAN 03 set of programs and with the BPW91/SDD level of theory. We analyze the geometries, chemical order, local and total magnetic moments, binding energies, excess energies, and second difference in the energy in the whole range of composition, from which structural, magnetic, and stability phase diagrams are predicted for these cluster sizes. We determine the optimal stoichiometries for these clusters as regards the maximum total magnetic moment and stability. © 2011 American Institute of Physics.
type: Continuant
date time value: article date 2765
has publication venue: Journal of Chemical Physics
origen: scopus
crisid: 2765
has funding vehicle: European Regional Development Fund, FEDER
has funding vehicle: Junta de Castilla y León
freetext keyword: Chemical order; Cluster sizes; Excess energy; Gaussians; Magnetic phase diagrams; Theoretical investigations; Transition-metal clusters; Binding energy; Chemical analysis; Chemical stability; Density functional theory; Magnetic moments; Phase diagrams; Stoichiometry; Transition metals; Phase stability
most specific type: Article
has funding vehicle: Consejo Nacional de Ciencia y Tecnología, CONACYT: 118743, 2005–50650
type: Thing
type: Information Content Entity
related by: authorship_16224
has funding vehicle: Ministerio de Ciencia e Innovación, MICINN: FIS2008-02490/FIS
related by: authorship_16223
type: Generically Dependent Continuant
e iscopus: 2-s2.0-79951534823
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Journal of Chemical Physics
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type: Document
publication venue for: Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms
type: Generically Dependent Continuant
type: Continuant
type: Entity
type: Periodical
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type: Journal
type: Information Content Entity

Generically Dependent Continuant
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SAB2009-0079
type: Relationship
type: BFO_0000020
type: Entity
type: Thing
type: Grant
type: Continuant
funding vehicle for: Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms

Consejo Nacional de Ciencia y Tecnología, CONACYT: 118743, 2005–50650
type: Relationship
type: BFO_0000020
type: Entity
type: Thing
type: Grant
type: Continuant
funding vehicle for: Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms

RDF description of Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms - http://orbis.uaslp.mx/vivo/individual/scopus2764
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date: 2026-08-25T06:58:11
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type: Document

Ministerio de Ciencia e Innovación, MICINN: FIS2008-02490/FIS
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type: BFO_0000020
type: Entity
type: Thing
type: Grant
type: Continuant
funding vehicle for: Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms

Article
type: Class

Junta de Castilla y León
type: Relationship
type: BFO_0000020
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type: Thing
type: Grant
type: Continuant
funding vehicle for: Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms

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