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First principles linear combinations of Gaussian type orbitals-fitting function (LCGTO-FF) electronic structure calculations are used to study thickness dependencies in the surface energies and work functions of ultra-thin (111) films of…
A number of the charge-density-wave materials reveal a transition to the macroscopic quantum state around 200 K. We used graphene-like mechanical exfoliation of titanium diselenide crystals to prepare a set of films with different…
The enigma of the emergent ferromagnetic state in tensile-strained LaCoO3 thin films remains to be explored because of the lack of a well agreed explanation. The direct magnetic imaging technique using a low-temperature magnetic force…
We present a computational approach for electronically correlated metallic surfaces and interfaces, which combines Density Functional and Dynamical Mean Field Theory using a multi-orbital perturbative solver for the many-body problem. Our…
We studied the ferroelectric and ferromagnetic properties of compressive strained and unstrained BiMnO3 thin films grown by rf-magnetron sputtering. BiMnO3 samples exhibit a 2D cube-on-cube growth mode and a pseudo-cubic struc-ture up to a…
The electronic and geometric properties of bulk fcc delta-plutonium and the quantum size effects in the surface energies and the work functions of the (001) ultra thin films (UTF) up to 7 layers have been investigated with periodic density…
We report pulsed laser deposition synthesis and characterization of polycrystalline Fe1-xCox Si thin films on Si (111). X-ray diffraction, transmission electron, and atomic force microscopies reveal films to be dense, very smooth, and…
A simplified density functional theory (DFT) method for charged adsorbates on an ultrathin, insulating film supported by a metal substrate is developed and presented. This new method is based on a previous DFT development that uses a…
Optical properties of ferromagnetic half-metallic full-Heusler Co$_{2}$FeGe alloy are investigated experimentally and theoretically. Co$_{2}$FeGe thin films were obtained by DC magnetron sputtering and show the saturation magnetization at…
Very thick films of BiCrO$_3$ have been grown on a SrTiO$_3$ substrate, maintaining a tetragonal lattice up to thicknesses of 14,000\AA. Assuming we can treat films of this thickness as bulk crystals, we first calculated the experimentally…
The aim of this work is to investigate the structural and magnetic characteristics of Fe thin films with a triangular (hexagonal) lattice surfaces (fcc (111) and bcc (111)). The properties of these structures have been calculated using…
The first-principles full-potential linearized augmented plane-wave method based on density functional theory is used to investigate electronic structure and magnetic properties of hypothetical binary compounds of I$^{A}$ subgroup elements…
High-quality thin films of the ferromagnetic-insulator europium(II) sulfide (EuS) were fabricated by pulsed laser deposition on Al2O3 (0001) and Si (100) substrates. A single orientation was obtained with the [100] planes parallel to the…
We report bcc-like crystal structures in 2-4 ML Fe films grown on fcc Cu(100) using scanning tunneling microscopy. The local bcc structure provides a straightforward explanation for their frequently reported outstanding magnetic properties,…
The existence of high-temperature ferromagnetism in thin films and nanoparticles of oxides containing small quantities of magnetic dopants remains controversial. Some regard these materials as dilute magnetic semiconductors, while others…
Dimensionality can strongly influence the magnetic structure of solid systems. Here, we predict theoretically and confirm experimentally that the antiferromagnetic (AFM) ground state of bulk gadolinium germanide metalloxene, which has a…
We provide evidence for a finite temperature ferromagnetic transition in 2-dimensions as $H \to 0$ in thin films of $^3$He on graphite, a model system for the study of two-dimensional magnetism. We perform pulsed and CW NMR experiments at…
We have investigated the magnetic properties of (Ga,Mn)As thin films with Mn concentration between 1 and 9%. Ferromagnetic transition temperatures TC of up to 173K are observed. The results are compared to the predictions of the Zener…
Using first-principles density functional calculations we demonstrate that ferromagnetism can be induced and modulated on an otherwise paramagnetic Pd metal thin-film surface through application of an external electric field. As free…
We study the behavior of very thin liquid films wetting homogeneous planar and spherical substrates. In order to describe a simple fluid at very small scales, we employ a classical density functional theory (DFT). Here, we model a fluid…