Erratum: Magnetic Anisotropies of Late Transition Metal Atomic Clusters [Phys. Rev. Lett.<b>99</b>, 183401 (2007)]

Fernández-Seivane, Lucas; Ferrer, Jaime

doi:10.1103/physrevlett.101.069903

Cited by 27 publications

(54 citation statements)

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“…When including the SOI, we have found that the ground state of the Pt 2 dimer has the atomic spins lying parallel to the axis, in agreement with Ref. [7]. Our result for the MAE per Pt atom, 76 meV, is slightly larger than theirs, which was of 75 meV.…”

Section: Simulation Methodssupporting

confidence: 91%

“…Stoichiometric and nearly stoichiometric FePt thin films have been receiving considerable attention for their potential use in magnetic and magneto-optical recording applications and high density recording media, in exchange-bias films of magneto-resistive elements, or in magnetic tips for magnetic force microscopy, due to their high magnetic anisotropy (MA), high coercive filed (H c ) and good corrosion resistance. In recent years, platinum, iron and bimetallic FePt clusters have been intensively studied [4][5][6][7][8][9]. These works have shown that the binding energy of iron clusters increases with the clusters size, but the magnetic moment per atom in the cluster evolves in an oscillatory way, approaching slowly the corresponding bulk value, and generally the moment per atom is larger than the corresponding bulk value [8].…”

Section: Introductionmentioning

confidence: 98%

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Magnetic properties of Fe2n and (FePt)n clusters and magnetic anisotropy of transition metal dimers

Boufala¹,

Fernández-Seivane²,

Ferrer³

et al. 2010

Journal of Magnetism and Magnetic Materials

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Section: Simulation Methodssupporting

confidence: 91%

Section: Introductionmentioning

confidence: 98%

Magnetic properties of Fe2n and (FePt)n clusters and magnetic anisotropy of transition metal dimers

Boufala¹,

Fernández-Seivane²,

Ferrer³

et al. 2010

Journal of Magnetism and Magnetic Materials

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“…Theoretically, there have been several studies on magnetic anisotropy for supported clusters [27,28,29,30,31,32,33], whereas studies on small free clusters are still limited [34,35,36,37,38]. The motivation for the present study is that icosahedral clusters for M 13 are known to be very stable, [6,12,39] and the alloying of 3d transition metals with Pt results in large magnetic anisotropy as well as orbital moment.…”

Section: Introductionmentioning

confidence: 94%

Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: A density functional theory study

et al. 2010

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Theoretical studies on M 13 (M = Fe, Co, Ni) and M 13 Pt n (for n = 3, 4, 5, 20) clusters including the spin-orbit coupling are done using density functional theory. The magnetic anisotropy energy (MAE) along with the spin and orbital moments are calculated for M 13 icosahedral clusters. The angle-dependent energy differences are modelled using an extended classical Heisenberg model with local anisotropies. From our studies, the MAE for Jahn-Teller distorted Fe 13 , Mackay distorted Fe 13 and nearly undistorted Co 13 clusters are found to be 322, 60 and 5 µeV/atom, respectively, and are large relative to the corresponding bulk values, (which are 1.4 and 1.3 µeV/atom for bcc Fe and fcc Co, respectively.) However, for Ni 13 (which practically does not show relaxation tendencies), the calculated value of MAE is found to be 0.64 µeV/atom, which is approximately four times smaller compared to the bulk fcc Ni (2.7 µeV/atom). In addition, MAE of the capped cluster (Fe 13 Pt 4 ) is enhanced compared to the uncapped Jahn-Teller distorted Fe 13 cluster.

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“…10,11 If such a medium was found, the MAE values would represent barrier heights against thermal and quantum mechanical fluctuations of the super-paramagnetic dimer moments. A 10-year stability of super-paramagnetic bits would require MAE/kT > 40, k being the Boltzmann constant.…”

Section: Magnetic Anisotropymentioning

confidence: 99%

“…10,11 Such effects are not included in the standard DFT approximations like LSDA or GGA, which are based on homogeneous electron gas theory. For example, LSDA does not account for the second Hund rule (maximum orbital quantum number in the ground state) in atoms.…”

Section: Magnetic Anisotropymentioning

confidence: 99%

Transition metal dimers as potential molecular magnets: A challenge to computational chemistry

et al. 2008

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Dimers are the smallest chemical objects that show magnetic anisotropy. We focus on 3d and 4d transition metal dimers that have magnetic ground states in most cases. Some of these magnetic dimers have a considerable barrier against re-orientation of their magnetization, the so-called magnetic anisotropy energy, MAE. The height of this barrier is important for technological applications, as it determines, e.g., the stability of information stored in magnetic memory devices. It can be estimated by means of relativistic density functional calculations. Our approach is based on a full-potential local-orbital method (FPLO) in a four-component Dirac-Kohn-Sham implementation. Orbital polarization corrections to the local density approximation are employed. They are discussed in the broader context of orbital dependent density functionals. Ground state properties (spin multiplicity, bond length, harmonic vibrational frequency, spin- and orbital magnetic moment, and MAE) of the 3d and 4d transition metal dimers are evaluated and compared with available experimental and theoretical data. We find exceptionally high values of MAE, close to 0.2 eV, for four particular dimers: Fe(2), Co(2), Ni(2), and Rh(2).

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Erratum: Magnetic Anisotropies of Late Transition Metal Atomic Clusters [Phys. Rev. Lett.99, 183401 (2007)]

Cited by 27 publications

References 1 publication

Magnetic properties of Fe2n and (FePt)n clusters and magnetic anisotropy of transition metal dimers

Magnetic properties of Fe2n and (FePt)n clusters and magnetic anisotropy of transition metal dimers

Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: A density functional theory study

Transition metal dimers as potential molecular magnets: A challenge to computational chemistry

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