Document
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funding4544
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type: BFO_0000020
type: Entity
type: Thing
type: Grant
type: Continuant
label: CONAHCYT; CONAHCYT of Mexico; LANCAD; Instituto Potosino de Investigación Científica y Tecnológica, IPICyT, (TKII-R2023-SLM, TKII2023-PAL); Instituto Potosino de Investigación Científica y Tecnológica, IPICyT; Laboratorio Nacional de Supercómputo del Sureste de Mexico, LNS
funding vehicle for: Theoretical study of the complex antiferromagnetic Heusler alloys Pd2MnAl, Pd2MnIn, and Pt2MnAl

Continuant
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Journal of Magnetism and Magnetic Materials
type: Collection
type: Document
type: Continuant
type: Generically Dependent Continuant
type: Journal
publication venue for: Theoretical study of the complex antiferromagnetic Heusler alloys Pd2MnAl, Pd2MnIn, and Pt2MnAl
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type: Periodical
type: Thing
type: Information Content Entity

Entity
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Generically Dependent Continuant
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RDF description of Theoretical study of the complex antiferromagnetic Heusler alloys Pd2MnAl, Pd2MnIn, and Pt2MnAl - http://orbis.uaslp.mx/vivo/individual/scopus12182
rights: termsOfUse
date: 2026-08-25T06:58:05
publisher: vivo
type: Document

Article
type: Class

Theoretical study of the complex antiferromagnetic Heusler alloys Pd2MnAl, Pd2MnIn, and Pt2MnAl
type: Entity
date time value: article date 12183
has funding vehicle: funding4544
type: Thing
artnum: 171760
type: Continuant
related by: authorship_74821
crisid: 12183
type: Generically Dependent Continuant
e iscopus: 2-s2.0-85183205755
volume: 592
related by: authorship_74822
type: Document
type: Article
doi: 10.1016/j.jmmm.2024.171760
abstract: The complex antiferromagnetic (AFM) phases displayed by the Heuser alloys Pd2MnAl, Pd2MnIn, and Pt2MnAl, are theoretically studied. The crystalline structure, electronic, and magnetic properties are calculated within the ab initio density functional theory. The super unit cell considered to describe the various magnetic arrangements contains 128 atoms. We analyzed the ferromagnetic (FM) and the three different antiferromagnetic (AFM) phases and found that the Pd2MnAl crystalline structure is orthorhombic with dimensions 6.055, 6.461, 6.026 Å. The AFM state with the lowest energy is the AFM3 with a Mn magnetic moment of 3.813 μB. The Pd2MnIn crystallizes in an orthorhombic structure with lattice parameters 6.249, 6.763, 6.227 Å. The ground state antiferromagnetic arrangement is also of type 3 with a Mn magnetic moment of 3.932 μB. The Pt alloy crystallizes in an orthorhombic structure with lattice dimensions of 6.029, 6.906, and 5.683 Å. In this case, the antiferromagnetic ground state is of type 1 with a Mn magnetic moment of 3.716 μB. The Pd and Pt d states are deep in energy and do not interact much with the Mn d states. This produces, in Pd and Pt, no magnetic polarization.
has publication venue: Journal of Magnetism and Magnetic Materials
related by: authorship_74820
type: Information Content Entity
freetext keyword: Antiferromagnetic systems; Electronic structure; First-principles; Heusler alloys; Magnetic structure Aluminum alloys; Antiferromagnetism; Density functional theory; Ground state; Magnetic moments; Manganese; Manganese alloys; Palladium; Palladium alloys; Platinum alloys; Ternary alloys; Antiferromagnetic phasis; Antiferromagnetic systems; Antiferromagnetics; Crystalline structure; Electronic and magnetic properties; Electronic.structure; First principles; Heusler alloys; Orthorhombic structures; Theoretical study; Electronic structure
estado: published
most specific type: Article
most specific type: Document

Information Content Entity
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