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The Peierl's tight-binding model, with the band Hamiltonian matrix, is used to calculate the magnetoelectronic structure of a monolayergraphite. There are many flat Landau levels and some oscillatory Landau levels. The low Landau-level…
Controlled crystallization of amorphous alloys offers a powerful route to tailor magnetic and structural properties at the nanoscale. Thin films of CoFeB alloy are essential for the development of various spintronic devices. The…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric/ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric/ferromagnet…
Fe$_{3-x}$GeTe$_2$ is a layered van der Waals magnetic material with a relatively high ordering temperature and large anisotropy. While most studies have concluded the interlayer ordering to be ferromagnetic, there have also been reports of…
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…
The electronic structure of the monoclinic structure of Fe$_3$O$_4$ is studied using both the local density approximation (LDA) and the LDA+$U$. The LDA gives only a small charge disproportionation, thus excluding that the structural…
Ternary transition-metal nitrides with layered crystal structures host anisotropic bonding and reduced dimensionality that may enable unconventional electronic and magnetic behavior. Yet, synthesis of such nitride thin films remains…
We present transport and structural data from epitaxial (100) and (111) Au/Fe multilayers grown by molecular beam epitaxy. From their analysis, we conclude that an electron channelling mechanism, due to strong specular reflection of the…
Fe-Co alloys with induced tetragonal strain are promising materials for rare-earth-free permanent magnets. However, as ultrathin-film studies have shown, tetragonal Fe-Co structures tend to a rapid relaxation toward a cubic structure as the…
The two-dimensional (2D) Cu(CrSe$_2$)$_2$ monolayer stands out for its combined ferromagnetic (FM), ferroelectric (FE), and metallic properties, marking itself as a prominent 2D multiferroic metal. This work studies those properties and the…
We present a new approach to study the magnetic phase stability of magnetic overlayers on nonmagnetic substrates. The exchange integrals among magnetic atoms in the overlayer are estimated in the framework of the adiabatic approximation and…
Magnetic materials with kagome crystal structure exhibit rich physics such as frustrated magnetism, skyrmion formation, topological flat bands, and Dirac/Weyl points. Until recently, most studies on kagome magnets have been performed on…
The electronic structure of Co/Cu(001) and Fe/Cr(001) magnetic multilayers has been investigated within the local density approximation combined with dynamical mean field theory. Our calculation shows enhanced density of states at the Fermi…
We report the molecular beam epitaxial growth, structure, and electronic measurements of single-crystalline LaAuSb films on Al$_2$O$_3$ (0001) substrates. LaAuSb belongs to a broad family of hexagonal $ABC$ intermetallics in which the…
In antiferromagnetically coupled superlattices grown on (001) faces of cubic substrates, e.g. based on materials combinations as Co/Cu, Fe/Si, Co/Cr, or Fe/Cr, the magnetic states evolve under competing influence of bilinear and biquadratic…
Previous studies have accurately determined the effect of transition metal point defects on the properties of bcc iron. The magnetic properties of transition metal monolayers on the iron surfaces have been studied equally intensively. In…
FeCl2 is a promising single-layer material with sizeable magnetic susceptibility and insulating character that can be easily grown by molecular beam epitaxy on various surfaces. In order to include it into the select palette of van der…
Fe/Si multilayers with antiferromagnetic interlayer coupling have been grown via ion-beam sputtering on both glass and single-crystal substrates. High-angle x-ray diffraction measurements show that both sets of films have narrow Fe peaks,…
Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hexagonal hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the…
Controlling mesoscale and nanoscale material structures and properties through self-organized atomic behavior is essential for atomic-scale manufacturing. However, direct and visual studies on the cross-scale effects of such atomic…