Search results for "Exchange"
showing 10 items of 2035 documents
Universal correction for the Becke-Johnson exchange potential
2010
The Becke-Johnson exchange potential [A. D. Becke and E. R. Johnson, J. Chem. Phys. 124, 221101 (2006)] has been successfully used in electronic structure calculations within density-functional theory. However, in its original form, the potential may dramatically fail in systems with non-Coulombic external potentials, or in the presence of external magnetic or electric fields. Here, we provide a system-independent correction to the Becke-Johnson approximation by (i) enforcing its gauge-invariance and (ii) making it exact for any single-electron system. The resulting approximation is then better designed to deal with current-carrying states and recovers the correct asymptotic behavior for sy…
Magnon transport in the presence of antisymmetric exchange in a weak antiferromagnet
2021
The Dzyaloshinskii-Moriya interaction (DMI) is at the heart of many modern developments in the research field of spintronics. DMI is known to generate noncollinear magnetic textures, and can take two forms in antiferromagnets: homogeneous or inter-sublattice, leading to small, canted moments and inhomogeneous or intra-sublattice, leading to formation of chiral structures. In this work, we first determine the strength of the effective field created by the DMI, using SQUID based magnetometry and transport measurements, in thin films of the antiferromagnetic iron oxide hematite, $\alpha$-Fe$_2$O$_3$. We demonstrate that DMI additionally introduces reconfigurability in the long distance magnon …
Anomalous Hall effect driven by dipolar spin waves in uniform ferromagnets
2015
A new type of anomalous Hall effect is shown to arise from the interaction of conduction electrons with dipolar spin waves in ferromagnets. This effect exists even in homogeneous ferromagnets without relativistic spin-orbit coupling. The leading contribution to the Hall conductivity is proportional to the chiral spin correlation of dynamical spin textures and is physically understood in terms of the skew scattering by dipolar magnons.
Skyrmions and multi-sublattice helical states in a frustrated chiral magnet
2016
We investigate the existence and stability of skyrmions in a frustrated chiral ferromagnet by considering the competition between ferromagnetic (FM) nearest-neighbour (NN) interaction ($J_1$) and antiferromagnetic (AFM) next-nearest-neighbour (NNN) interaction ($J_2$). Contrary to the general wisdom that long-range ferromagnetic order is not energy preferable under frustration, the skyrmion lattice not only exists but is even stable for a large field range when $J_2 \leq J_1$ compared with frustration-free systems. We defend that the enlargement of stability window of skyrmions is a consequence of the reduced effective exchange interaction caused by the frustration. A multi-sublattice helic…
Comparison of first-principles methods to extract magnetic parameters in ultra-thin films: Co/Pt(111)
2019
We compare three distinct computational approaches based on first-principles calculations within density functional theory to explore the magnetic exchange and the Dzyaloshinskii-Moriya interactions (DMI) of a Co monolayer on Pt(111), namely, (i) the method of infinitesimal rotations of magnetic moments based on the Korringa-Kohn-Rostoker (KKR) Green function method, (ii) the generalized Bloch theorem applied to spiraling magnetic structures and (iii) supercell calculations with noncollinear magnetic moments, the latter two being based on the full-potential linearized augmented plane wave (FLAPW) method. In particular, we show that the magnetic interaction parameters entering micromagnetic …
Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems
2009
Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, however, there is still a need for better approximations to the exchange-correlation energy functional. Furthermore, the need for properly describing current-carrying states represents an additional challenge for the development of approximate functionals. In order to make progress along these directions, we show that simple and efficient expressions for the exchange energy can be obtained by considering the short-range behavior of the one-body spin-density matrix. Applications to several two-dimensional systems confirm…
Neutron Scattering in Nanomagnetism
2015
Abstract Polarized neutron reflectometry (PNR) has played an essential role for the exploration of nanomagnetic and spintronic materials, including exchange coupled magnetic superlattices, exchange bias systems between ferromagnetic and antiferromagnetic films, spin valves, exchange springs between soft and hard magnetic films, superconducting proximity effects, periodic lateral magnetic patterns, and magnetic nanoparticles. The main virtues of PNR are depth-resolved vector magnetometry in the film plane, high sensitivity to magnetic interfaces, and statistical analysis of magnetic domain fluctuations. Recently the capabilities of PNR have been carried over from steady state to dynamic inve…
Beyond the Heisenberg Model: Anisotropic Exchange Interaction between a Cu-Tetraazaporphyrin Monolayer andFe3O4(100)
2013
The exchange coupling of a single spin localized at the central ion of Cu-tetraazaporphyrin on a magnetite(100) surface has been studied using x-ray magnetic circular dichroism (XMCD). Sum rule analysis of the XMCD spectra results in Cu spin and orbital magnetic moments as a function of the applied external field at low temperatures (20 K). The exchange coupling is positive for magnetization direction perpendicular to the surface (ferromagnetic) while it is negative for in-plane magnetization direction (antiferromagnetic). We attribute the anisotropy of the Heisenberg exchange coupling to an orbitally dependent exchange Hamiltonian.
Understanding the Giant Enhancement of Exchange Interaction in Bi2Se3−EuS Heterostructures
2017
A recent experiment indicated that a ferromagnetic EuS film in contact with a topological insulator ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$ might show a largely enhanced Curie temperature and perpendicular magnetic anisotropy [F. Katmis et al., Nature (London) 533, 513 (2016).]. Through systematic density functional calculations, we demonstrate that in addition to the factor that ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$ has a strong spin orbit coupling, the topological surface states are crucial to make these unusual behaviors robust as they hybridize with EuS states and extend rather far into the magnetic layers. The magnetic moments of Eu atoms are nevertheless not much enhanced, unlike what was…
Magnetism of metallacrown single-molecule magnets: From a simplest model to realistic systems
2018
Electronic and magnetic properties of molecular nanomagnets are determined by competing energy scales due to the crystal field splitting, the exchange interactions between transition metal atoms, and relativistic effects. We present a comprehensive theory embracing all these phenomena based on first-principles calculations. In order to achieve this goal, we start from the ${\mathrm{FeNi}}_{4}$ cluster as a paradigm. The system can be accurately described on the ab initio level yielding all expected electronic states in a range of multiplicities from 1 to 9, with a ferromagnetic ground state. By adding the spin-orbit coupling between them we obtain the zero-field splitting. This allows to in…