Alloying route to tailor giant magnetic anisotropy in transition-metal nanowires

Negulyaev, N. N.; Dorantes-Dávila, J.; Niebergall, L.; Pastor, G.; Stepanyuk, V. S.

doi:10.1103/physrevb.87.054425

Cited by 12 publications

(8 citation statements)

References 49 publications

(53 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Recently, the magnetic properties of various bi-metallic 3d-5d chains of linear and zigzag shape have been investigated. [23][24][25] The calculations are carried out within the fullpotential linearized augmented plane wave method (FLAPW) 26,27 as implemented in the FLEUR code 28 . In order to deal with the large unit cell anticipated for chiral magnetic spirals, we treat the magnetic structure in reciprocal space by making use of the generalized Bloch theorem [29][30][31] in the absence of the spin-orbit interaction, which allows the calculation of incommensurate magnetic spirals in the chemical unit cell.…”

Section: Introductionmentioning

confidence: 99%

Dzyaloshinskii-Moriya interaction and chiral magnetism in3d−5dzigzag chains: Tight-binding model andab initiocalculations

Kashid

Schena

Zimmermann³

et al. 2014

Phys. Rev. B

View full text Add to dashboard Cite

We investigate the chiral magnetic order in free-standing planar 3d-5d bi-atomic metallic chains (3d: Fe, Co; 5d: Ir, Pt, Au) using first-principles calculations based on density functional theory. We found that the antisymmetric exchange interaction, commonly known as Dzyaloshinskii-Moriya interaction (DMI), contributes significantly to the energetics of the magnetic structure. For the Fe-Pt and Co-Pt chains, the DMI can compete with the isotropic Heisenberg-type exchange interaction and the magneto-crystalline anisotropy energy (MAE), and for both cases a homogeneous left-rotating cycloidal chiral spin-spiral with a wave length of 51Å and 36Å, respectively, were found. The sign of the DMI, that determines the handedness of the magnetic structure changes in the sequence of the 5d atoms Ir(+), Pt(−), Au(+). We used the full-potential linearized augmented plane wave method and performed self-consistent calculations of homogeneous spin spirals, calculating the DMI by treating the effect of spin-orbit interaction (SOI) in the basis of the spin-spiral states in first-order perturbation theory. To gain insight into the DMI results of our ab initio calculations, we develop a minimal tight-binding model of three atoms and 4 orbitals that contains all essential features: the spin-canting between the magnetic 3d atoms, the spin-orbit interaction at the 5d atoms, and the structure inversion asymmetry facilitated by the triangular geometry. We found that spin-canting can lead to spin-orbit active eigenstates that split in energy due to the spin-orbit interaction at the 5d atom. We show that, the sign and strength of the hybridization, the bonding or antibonding character between d-orbitals of the magnetic and non-magnetic sites, the bandwidth and the energy difference between states occupied and unoccupied states of different spin projection determine the sign and strength of the DMI. The key features observed in the trimer model are also found in the first-principles results.

show abstract

Section: Introductionmentioning

confidence: 99%

Dzyaloshinskii-Moriya interaction and chiral magnetism in3d−5dzigzag chains: Tight-binding model andab initiocalculations

Kashid

Schena

Zimmermann³

et al. 2014

Phys. Rev. B

View full text Add to dashboard Cite

show abstract

“…2 This approach is essential in the case of 3d-5d-based nanomagnets since the 3d materials have a significant magnetic moment, and on the other hand, 5d compounds, though showing small moments, have large spin-orbit coupling that would yield a rich diversity of complex magnetic behaviors. 18,[36][37][38][39] Therefore, taking advantage of both 3d and 5d features, a suitable combination of an alloyed material is expected to optimize both the magnetic moments and MAEs. In addition, if one combines the TM-alloying with applied external electric fields in systems of a few atoms such as binary dimers of 3d-5d TM elements, one could expect to have an exciting playground that could bring novel application-specific functionalized materials tailored in a controlled fashion.…”

Section: Introductionmentioning

confidence: 99%

Tuning the magnetic anisotropy energy by external electric fields of CoPt dimers deposited on graphene

Ruiz-Díaz

Núñez-Valencia

Muñoz-Navia

et al. 2022

Phys. Chem. Chem. Phys.

Self Cite

View full text Add to dashboard Cite

show abstract

“…One of the major goals of development of nanomaterials has been the understanding of how the system properties change on changing the structure of a material at atomic scale. Having known the interplay between structural, electronic, transport, and mechanical properties of atomic scale systems such as atomic chains, clusters, and nanowires makes it possible to manipulate different properties to design desired atomic scale devices [1][2][3][4][5]. As compared to bulk, atomic wires and clusters exhibit distinct reactivity, unveiling suitable chemical properties for catalysis applications [6,7].…”

Section: Introductionmentioning

confidence: 99%

Effect of Substrate on Structural and Electronic Properties of Au-Pd, Au-Pt and Au-Ag Atomic Chains

Dave

Sharma

2020

AJOPACS

View full text Add to dashboard Cite

We report structure and electronic properties of Au-Pd, Au-Pt and Au-Ag bimetallic atomic chains absorbed on NiAl(110) and Cu(110) substrate. It is found that the presence of substrate significantly influences the electronic structure of the chains. Atoms of single chains of Au-Pd, Au-Pt and Au-Ag bind more strongly with Ni atoms of NiAl substrate, as compared with Cu atoms in Cu(110). The interaction between chain atoms is found stronger than the chain-substrate atoms, when chains are placed on Cu substrate, while it is other way round in case of chains on NiAl substrate. Effect of change in positions of atoms in bimetallic chains in presence of substrate is studied by placing double chains of Au-Pd, Au-Pt and Au-Ag on Cu (110) substrate in three different configurations. It is found that Au-Pd and Au-Pt bimetallic chains stabilize in double zigzag topology, when placed on Cu (110) substrate. While Au-Ag chains exhibit ladder topology on Cu(110) substrate. Ferromagnetism that is observed in ground state of free standing chains of Au-Pd and Au-Pt is not found when chains are absorbed on NiAl(110) and Cu(110) substrate. It is likely that the interaction between chain and substrate atoms results to zero magnetic moment.

show abstract

Alloying route to tailor giant magnetic anisotropy in transition-metal nanowires

Cited by 12 publications

References 49 publications

Dzyaloshinskii-Moriya interaction and chiral magnetism in3d−5dzigzag chains: Tight-binding model andab initiocalculations

Dzyaloshinskii-Moriya interaction and chiral magnetism in3d−5dzigzag chains: Tight-binding model andab initiocalculations

Tuning the magnetic anisotropy energy by external electric fields of CoPt dimers deposited on graphene

Effect of Substrate on Structural and Electronic Properties of Au-Pd, Au-Pt and Au-Ag Atomic Chains

Contact Info

Product

Resources

About