Search Results - "Demangeat, C"
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A magnetic map of O/Fe/Mn/Fe(001) multilayer with DFT+U scheme
Published in Surface science (01-04-2022)“…•Effect of oxygen on the magnetization of Fe/Mn multilayers.•DFT + U calculations on the stability of Fe/O/Mn/Fe(001) multilayers.•The interlayer exchange…”
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Effect of oxygen contamination on structural and magnetic properties of MnPd bilayer grown on Fe/MgO(001): Ab initio study
Published in The European physical journal. B, Condensed matter physics (2022)“…We present a detailed study of oxygen contamination on the structural and magnetic properties for both Fe/MgO(001) substrate and MnPd bilayer grown on…”
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3
Intrinsic noncollinear magnetization in Fe/Cr superlattices
Published in Journal of magnetism and magnetic materials (01-12-2014)“…Magnetic moments distribution in Fe3Crn superlattice series with fixed middle Fe monolayer and number of Cr monolayers (MLs) n from 1 to 45 is computed in the…”
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Interfacial effects on the magnetic profiles and interlayer exchange coupling of Co/CoSi multilayers
Published in Thin solid films (31-10-2011)“…Density functional calculations are conducted to investigate the interlayer exchange coupling (IEC) between ferromagnetic Co slabs mediated by a CoSi spacer in…”
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Proximity effects on the spin density waves in X/Cr(001) multilayers (X=Sn, V, and Mn)
Published in Thin solid films (03-01-2011)“…We present ab initio density functional calculations of the electronic structure and magnetic properties of X2/Cr36(001) and X1/Cr37(001) multilayers, with…”
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6
FP-LAPW investigation of electronic structure of TaN and TaC compounds
Published in Computational materials science (01-04-2005)“…We study the structural and electronic properties of tantalum compounds, i.e. TaC and TaN, by means of accurate first principle total energy calculations using…”
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Journal Article Conference Proceeding -
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Thickness stabilization of ferromagnetic order of FeGe2 compounds
Published in Solid state communications (01-11-2010)“…Electronic and magnetic properties of ultra-thin films of FeGe2 compounds have been investigated using ab initio density functional theory (DFT). In the bulk…”
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Magnetic map of MnPd overlayers on Co(001) and Co(111): Ab initio studies
Published in Surface science (01-07-2013)“…First-principle band structure calculations on (Mn0.5Pd0.5)n/Co(001) and MnxPd1−x/Co(111) systems are carried out by a plane wave self consistent field (PWscf)…”
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9
Thickness stabilization of ferromagnetic order of compounds
Published in Solid state communications (01-11-2010)“…Electronic and magnetic properties of ultra-thin films of [inline image] compounds have been investigated using ab initio density functional theory (DFT). In…”
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10
Tailoring the spin density waves in Fe/Cr multilayers by selective inclusion of Sn, V and Mn
Published in Surface science (01-01-2009)“…The possibility of tailoring the spin density waves in Fe/Cr(001) multilayers through the selective inclusion of Sn, V and Mn monolayers is investigated with…”
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Journal Article -
11
Effect of vacancies on the spin density waves onset in Fe/Cr superlattices
Published in The European physical journal. B, Condensed matter physics (01-05-2011)“…The spin density wave’s onset in Cr based superlattices is considered within proximity of Fe interlayer boundaries and the effect of randomly located vacancies…”
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12
Magnetism in V/Co(0001) hcp interfaces: Density functional calculations
Published in Surface science (01-09-2011)“…We investigate the magnetic properties of V/Co interfacial systems and adatoms within the density functional theory taking into account the structural…”
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13
Theoretical approaches of magnetism of transition-metal thin films and nanostructures on semi-infinite substrate
Published in Surface science reports (01-01-1997)“…Tremendous progress has been made in the field of magnetic materials and technology over the past few years. Superior properties and novel scientific questions…”
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14
Isomerization of n-butane on Pt (100): Monomolecular mechanism investigation
Published in Surface science (15-06-2010)“…Density Functional Theory calculations have been performed on a skeletal isomerization of n-butane into isobutane in the absence and presence of hydrogen on a…”
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15
Electronic structure and optical properties of TaC from the first principles calculation
Published in The European physical journal. B, Condensed matter physics (01-04-2005)Get full text
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16
Magnetic exchange coupling of Co/Ir multilayers
Published in The European physical journal. B, Condensed matter physics (01-04-2008)“… We present ab initio calculations of the exchange coupling for Co/Ir systems using a self-consistent full-potential linearized augmented plane-wave (FLAPW)…”
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Journal Article -
17
Effect of oxygen on the magnetic coupling of a Mn thin film on Fe(0 0 1) substrate
Published in Surface science (20-08-2004)“…The effect of oxidation on the Mn–Fe magnetic coupling is investigated through ab initio density-functional calculations on a Mn monolayer deposited on Fe(0 0…”
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Journal Article -
18
Effect of bidimensional Fe clusters on magnetic properties of Fe/Cr superlattices
Published in Journal of magnetism and magnetic materials (01-02-2008)“…The effect of bidimensional Fe clusters and intermixing between the Fe and Cr atoms on the magnetic properties of Fe/Cr superlattices is studied in the…”
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Journal Article -
19
Antiferromagnetism at V/Co(001) interfaces
Published in Solid state communications (01-10-2007)“…Recent studies of x-ray magnetic circular dichroism (XMCD) at V/Co interfaces have determined the magnetic moments on V and Co atoms. The purpose of the…”
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Magnetic properties of Fe/V nanostructures
Published in Physical review. B, Condensed matter and materials physics (01-04-2005)Get full text
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