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The nature of the elemental cerium phases, undergoing an isostructural volume collapse transition, cannot be understood using conventional solid state concepts. Using the combination of density functional theory and dynamical mean-field…
We study the electronic and magnetic states of as-grown and annealed $M\text{Fe}_2\text{O}_4$(111)/$\text{Al}_2\text{O}_3$(111) ($M=\text{Co, Ni}$) thin films with various thicknesses grown on Si(111) substrates with the…
Surface magnetic properties of the pseudomorphic Fe(110) monolayer on a W(110) substrate are investigated from first principles as a function of the substrate thickness (up to eight layers). Analyzing the magnetocrystalline anisotropy…
Based on ab initio calculations we determine the features and relative stability of different models proposed to describe the $(2 \times 2)$-FeO(111) reconstruction. Our results suggest that both wurtzite and spinel-like environments are…
Emergence of ferromagnetism in non-magnetic semiconductors is strongly desirable, especially in topological materials thanks to the possibility to achieve quantum anomalous Hall effect. Based on first-principles calculations, we propose…
Motivated by the recent discovery of magnetism and heavy quasiparticles in van der Waals material CeSiI, we develop an effective model that incorporates the conduction electrons residing at the silicene layer interacting with the local…
We report the magnetic properties of the layered heavy fermion antiferromagnet CePdGa$_{6}$, and their evolution upon tuning with the application of magnetic field and pressure. CePdGa$_{6}$ orders antiferromagnetically below $T\rm_{N}$ =…
We investigate to what extent the magnetic properties of deposited nanostructures can be influenced by selecting as a support different surfaces of the same substrate material. Fully relativistic ab initio calculations were performed for Co…
We present a microscopic model for nanoparticles, of the maghemite ($\gamma $% -Fe$_{2}$O$_{3}$) type, and perform classical Monte Carlo simulations of their magnetic properties. On account of M\"{o}ssbauer spectroscopy and high-field…
The cerium iso-structural phase transition (gamma to alpha) is dominated by f-electron localization changes that results in a magnetic ordering change and a volume collapse. Generally, these physics are difficult to capture with ab initio…
FePt nanoparticles are known to exhibit reduced L1$_0$ order with decreasing particle size. The reduction in order reduces the magnetic anisotropy and the thermal stability of the direction of magnetization of the particle. The phenomenon…
Using a small amount of radioactive 111Cd atoms implanted in cerium lattice to probe the hyperfine electric quadrupole interaction, we have detected a quadrupole electron charge density component in alpha-Ce, which is absent in gamma-Ce.…
Most previous investigations have shown that the surface of a ferromagnetic material may have antiferromagnetic tendencies. However, experimentally the opposite effect has been recently observed: ferromagnetism appears in some nano-sized…
The magnetic-field-temperature phase diagram of solid oxygen is investigated by the adiabatic magnetocaloric effect (MCE) measurement with pulsed magnetic fields. Relatively large temperature decrease with hysteresis is observed at just…
The nanoscopic magnetic texture forming in a monolayer of iron on the (111) surface of iridium, Fe/Ir(111), is spatially modulated and uniaxially incommensurate with respect to the crystallographic periodicities. As a consequence, a…
We have studied surface morphology and magnetic properties of Fe/MgO(001) films deposited at an angle varying between 0o and 60o with respect to the surface normal and with azimuth along the Fe[010] or the Fe[110] direction. Due to…
On the basis of a first-principles electronic structure theory of finite temperature metallic magnetism in layered materials, we investigate the onset of magnetic order in thin (2-8 layers) fcc-Fe films on Cu(100) substrates. The nature of…
The heavy fermion material CeB6 shows hidden magnetic ordered phases. Besides well-known Ferromagnetic(FM) and Antiferromagnetic(AFM) phases, CeB6 is speculated to form a unique antiferroquadrupolar (AFQ) phase that is orbital in nature.…
Two-dimensional (2D) materials can host stable, long-range magnetic phases in the presence of underlying magnetic anisotropy. The ability to realize the full potential of 2D magnets necessitates systematic investigation of the role of…
Effects of the surface exchange anisotropy on ordering of ferromagnetic films are studied for the exactly solvable classical spin-vector model with D \to \infty components. For small surface anisotropy \eta'_s << 1 (defined relative to the…