Related papers: Surface Magnetic Phase Diagram of Tetragonal Manga…
Using first-principles calculations, we show that the (001) surface of the ferromagnet La$_{1-x}$Sr$_{x}$MnO$_{3}$ under epitaxial compression favors antiferromagnetic ordering in the first few surface layers, coexisting with ferromagnetic…
The electronic structure and magnetic properties of La_{1-x}A_{x}MnO_3 are investigated. It is assumed that, at the outermost layer, the environment of the Mn ions does not have cubic symmetry. The e_g orbitals are split and the double…
The magnetic phase diagram of the colossal magnetoresistance (CMR) manganites is determined based on the Hamiltonian incorporating the double-exchange (DE) interaction between degenerate Mn $e_g$ orbitals and the antiferromagnetic (AF)…
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…
We study theoretically the phase diagram of perovskite manganites taking into account the double degeneracy of the $e_g$ orbitals in a $Mn^{3+}$ ion. A rich phase diagram is obtained in the mean field theory at zero temperature as functions…
We present the structure of the fully relaxed (001) surface of the half-metallic manganite La0.7Sr0.3MnO3, calculated using density functional theory within the generalized gradient approximation (GGA). Two relevant ferroelastic order…
The electronic and magnetic properties of ferromagnetic doped manganites are investigated by means of model tight-binding and \textit{ab initio} self-interaction corrected local spin density approximation calculations. It is found that the…
The many surface reconstructions of (110)-oriented lanthanum--strontium manganite (La$_{0.8}$Sr$_{0.2}$MnO$_3$, LSMO) were followed as a function of the oxygen chemical potential ($\mu_\text{O}$) and the surface cation composition.…
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…
We use a combination of density functional theory and Monte Carlo calculations to calculate the surface magnetization in magnetoelectric $\mathrm{Cr_2O_3}$ at finite temperatures. Such antiferromagnets, lacking both inversion and…
Double-layered Sr3Ru2O7 has received phenomenal consideration because it exhibits a plethora of exotic phases when perturbed. New phases emerge with the application of pressure, magnetic field, or doping. Here we show that creating a…
We studied the correlation between magnetic, electrical, structural, and magnetostriction properties of the electron doped manganites Ca$_x$Sm$_{1-x}$MnO$_3$ (x = 0.85, 0.8). The paramagnetic to antiferromagnetic transition in both the…
We use symmetry analysis and density functional theory to characterize antiferromagnetic (AFM) materials which have a finite equilibrium magnetization density on particular surface terminations. A nonzero magnetic dipole moment per unit…
Recent experiments showed that the robust charge-ordering in manganites can be weakened by reducing the grain size down to nanoscale. Weak ferromagnetism was evidenced in both nanoparticles and nanowires of charge-ordered manganites. To…
We report on detailed sucseptibility and magnetization studies in La{1-x}Sr{x}MnO3 for x<=0.2. We arrive at a phase diagram which shows a ferromagnetic ground state for 0.1<=x<=0.15 followed by a canted antiferromagnetic phase at higher…
We show that a three dimensional topological insulator doped with magnetic impurities in the bulk can have a regime where the surface is magnetically ordered but the bulk is not. This is in contrast to conventional materials where bulk…
We investigated electrical and magnetic properties of the electron-doped manganites Ca1-xSmxMnO3 (0<x<0.2). Our results indicate the possibility of phase separation in electron doped manganites. The compounds with x = 0.13-0.15 show unusual…
We studied for the first time the magnetic phase diagram of the rare-earth manganites series Gd$_{1-x}$Ca$_{x}$MnO$_{3}$ (GCMO) over the full concentration range based on density functional theory. GCMO has been shown to form solid…
Novel ground-state spin structures in undoped and lightly-doped manganites are here investigated based on the orbital-degenerate double-exchange model, by using mean-field and numerical techniques. In undoped manganites, a new…
The magnetic phase diagram in a single crystal of copper metaborate CuB_2O_4 in a magnetic field parallel to a tetragonal axis $c$ has been investigated. From the resonant, magnetic and magnetostrictive data the phase diagram of CuB_2O_4 on…