Related papers: Half-Metallicity of LSMO
Using density-functional theory within the generalized gradient approximation, we show that Si-based heterostructures with 1/4 layer $\delta$-doping of {\em interstitial} Mn (Mn$_{\mathrm int}$) are half-metallic. For Mn$_{\mathrm int}$…
In this communication we present a first principle study of Pr$_{1-x}$Sr$_{x}$MnO$_3$ with $x = 0.25$. While the parent compounds of this system are antiferromagnetic insulators with different structural and magnetic ground states, the $x =…
By means of hybrid density functional theory we investigate the evolution of the structural, electronic and magnetic properties of the colossal magnetoresistance (CMR) parent compound LaMnO$_3$ under pressure. We predict a transition from a…
We study the electronic state of an inverse spinel compound MnMg$_{2}$O$_{4}$ based on first-principles calculations. The high-spin state is realized in Mn ions on the diamond lattice, resulting in that this material is found to be a…
In this paper we report the results of the synthesis and structural, transport and magnetic characterization of pure La0.5Sr1.5MnO4 (LSMO) and 5% doped samples, i.e. La0.5Sr1.5Mn0.95B0.05O4, where B = Ru, Co and Ni. It is shown that even a…
Polycrystalline samples of the quarter-doped manganites $R_{0.75}$Ca$_{0.25}$MnO$_3$ ($R$ = Y, Tb, Dy, Ho, and Er) were studied by X-ray diffraction and AC/DC susceptibility measurements. All five samples are orthorhombic and exhibit…
Results of Co and Ni substituted AlN in the zinc blende phase are presented. For spin up states the hybridized N-2p and Co/Ni-3d states form the valance bands with a bandgap around the Fermi level for both materials, while in the case of…
In the ferromagnetic metallic state of the colossal magnetoresistive (CMR) manganite La1.2Sr1.8Mn2O7, the spin density distribution is essentially in agreement with the standard picture in which the unpaired electrons occupy the three t2g…
The magnetic interactions in La{0.70}Ca{0.30}Mn{1-x}Cr{x}O{3} (x = 0.15, 0.50 and 0.70) are investigated by x-ray absorption spectroscopy (XAS), x-ray magnetic circular dichroism (XMCD), high-resolution x-ray powder diffraction, and bulk…
We propose and investigate the properties of a digital ferromagnetic heterostructure (DFH) consisting of a $\delta$-doped layer of Mn in Si, using \textit{ab initio} electronic-structure methods. We find that (i) ferromagnetic order of the…
In this study, we report the observation of a pseudogap associated with the insulator-metal transition in compositions of Pr$_{1-x}$Sr$_x$MnO$_3$ system with no charge ordering. Our valence band photoemission study shows that the observed…
We report on structural, magnetic and Electron Spin Resonance (ESR) investigations in the manganite system LaMn_{1-x}Cr_{x}O_{3} (x<=0.5). Upon Cr-doping we observe a reduction of the Jahn-Teller distortion yielding less distorted…
The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…
Hexagonal Sr0.6Ba0.4MnO3 (SBMO) follows P63/mmc symmetry where MnO6 octahedra are both face-shared (Mn2O9 bi-octahedra) and corner-shared via oxygen anion. It undergoes ferroelectric (FE) and antiferromagnetic (AFM) orderings close to the…
The spin-orbit interaction can cause a nonvanishing density of states (DOS) within the minority-spin band gap of half-metals around the Fermi level. We examine the magnitude of the effect in Heusler alloys, zinc-blende half metals and…
First-principles density functional theory (DFT) is used to investigate the electronic and magnetic properties of Sr$_4$Rh$_3$O$_{10}$, a member of the Ruddlesden-Popper series. Based on the DFT calculations taking into account the…
The magnetic phase diagram of the Mn-based semi-Heusler alloys is determined at T=0 using first-principles calculations in conjunction with the frozen-magnon approximation. We show that the magnetism in these systems strongly depends on the…
The combination of x-ray spectroscopy methods complemented with theoretical analysis unravels the coexistence of paramagnetic and antiferromagnetic phases in the Zn_0.9Mn_0.1O shell deposited onto array of wurtzite ZnO nanowires. The shell…
The electronic and magnetic properties of the interfaces between the half-metallic Heusler alloys NiMnSb, NiMnSi and MgO have been investigated using first-principles density-functional calculations with projector augmented wave potentials…
The layered material Mn$_3$Si$_2$Te$_6$, with alternating stacking honeycomb and triangular layers, is attracting considerable attention due to its rich physical properties. Here, using density functional theory and classical Monte Carlo…