Related papers: Uncovering Electronic Exchange Behavior: Exploring…
Photoirradiation effects in correlated electrons coupled with localized spins are studied based on the extended double-exchange model. In particular, we examine melting of an antiferromagnetic (AFM) charge order insulating state by varying…
S=1/2 quantum spin chains and ladders with random exchange coupling are studied by using an effective low-energy field theory and transfer matrix methods. Effects of the nonlocal correlations of exchange couplings are investigated…
Using generalizations of natural orbitals, spin-averaged natural orbitals, and two-particle charge correlators for solids, we investigate electronic structure of antiferromagnetic transition-metal oxides with a fully self-consistent,…
We use neutron diffraction, magnetometry and low temperature heat capacity to probe giant magneto-elastic coupling in CoMnSi-based antiferromagnets and to establish the origin of the entropy change that occurs at the metamagnetic transition…
The mechanisms underlying the enhancement of magnetic anisotropies (MAs) of Sm ions, owing to valence electrons at the Sm site and the screened nuclear charges of ligands, are clarified using a detailed analysis of crystal fields (CF). In…
Modeling the electronic and optical properties of organic semiconductors remains a challenge for theory, despite the remarkable progress achieved in the last three decades. The complexity of these systems, including structural (dis)order…
Structural, electronic and magnetic properties of polycrystalline La2-xCaxCoMnO6 (0 $\leq$ x $\leq$ 0.75) compounds are investigated by x-ray diffraction and magnetometry. All the samples have an orthorhombic structure and show a slight…
This study investigates the torsional mechanical properties of pristine iron (Fe) and carbon-doped iron (FeC) nanowires with [001] orientation through molecular dynamics simulations utilizing the Modified Embedded Atom Method (MEAM)…
We performed SQUID and FMR magnetometry experiments to clarify the relationship between two reported magnetic exchange effects arising from interfacial spin-polarized charge transfer within ferromagnetic metal (FM)/molecule bilayers: the…
Using first-principles density functional theory, we investigate the interfacial magnetoelectric coupling in a tri-component superlattice composed of a ferromagnetic metal (FM), ferroelectric (FE), and normal metal (NM). Using Fe/FE/Pt as a…
A hallmark of the iron-based superconductors is the strong coupling between magnetic, structural and electronic degrees of freedom. However, a universal picture of the normal state properties of these compounds has been confounded by recent…
The superexchange theory predicts dominant antiferromagnetic kinetic interaction when the orbitals accommodating magnetic electrons are covalently bonded through diamagnetic bridging atoms/groups. Here we show that explicit consideration of…
Using spin density functional theory we have carried out a comparative study of chemical bonding and magnetism in Fe_4N, Fe_3N and Fe_2N. All of these compounds form close packed Fe lattices, while N occupies octahedral interstitial…
Using first principles calculations in the framework of Density Functional Theory, we investigated the electronic and transport properties of metal(II)-phthalocyanine (M(II)Pc) systems, both in a single molecule configuration and in a…
Theoretical foundation and application of the generalized spin-fermion (sp-d) exchange lattice model to magnetic and diluted magnetic semiconductors are discussed. The capabilities of the model to describe spin quasi-particle spectra are…
The magnetic properties of the intermetallic compound FeAl are investigated using exact exchange density functional theory. This is implemented within a state of the art all-electron full potential method. We find that FeAl is magnetic with…
The microscopic basis for the stability of itinerant ferromagnetism in correlated electron systems is examined. To this end several routes to ferromagnetism are explored, using both rigorous methods valid in arbitrary spatial dimensions, as…
Modern magnetic thin film devices owe their success in large part to effects emerging from interlayer coupling and exchange interaction at interfaces. A prominent example is exchange bias (EB), a magnetic coupling phenomenon found in…
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging…
Using spin-polarized low-energy electron microscopy to study magnetization in epitaxial layered systems, we found that the area vs perimeter relationship of magnetic domains in the top Fe layers of Fe/NiO/Fe(100) structures follows a…