Related papers: Site-substitution in GdMnO3 : effects on structura…

Using first-principles density functional theory calculations, we investigated the effect of charge doping in a LaNiO$_3$/SrTiO$_3$ superlattice. The detailed analysis based on two different simulation methods for doping clearly shows that…

The modifications in the electronic structure of Ni_{2+x}Mn_{1-x}Ga by Ni doping have been studied using full potential linearized augmented plane wave method and ultra-violet photoemission spectroscopy. Ni 3d related electron states appear…

A flop of electric polarization from $P$$\parallel$$c$ ($P_c$) to $P$$\parallel$$a$ ($P_a$) is observed in MnTiO$_3$ as a spin flop transition is triggered by a $c$-axis magnetic field, $H_{\|c}$=7 T. The critical magnetic field $H_{\|c}$…

With the motivation to study how non-magnetic ion site disorder affects the quantum magnetism of Ba3CoSb2O9, a spin-1/2 equilateral triangular lattice antiferromagnet, we performed DC and AC susceptibility, specific heat, elastic and…

Magnetic topological materials, in which strong correlations between magnetic and electronic properties of matter, give rise to various exotic phenomena such as anomalous Hall effect (AHE), topological Hall effect (THE), and skyrmion…

This study investigates the novelty of the crystalline and electronic structure of (Mg,Ti)-doped ZnO and the co-doped Zn1-x-yMgxTiyO structures using Gaussian and plane-wave basis sets, as implemented in the CP2K code. The goal of…

We present powder and single crystal X-ray diffraction data as evidence for a monoclinic distortion in the low spin (S=0) and intermediate spin state (S=1) of LaCoO3. The alternation of short and long bonds in the ab plane indicates the…

The hexagonal multiferroic oxide YMnO$_3$ has demonstrated applications in various fields and is widely researched due to its interesting properties. Since Mn(3d)--O(2p) interactions predominate close to the Fermi level, doping in the…

Emergent magnetic states at oxide interfaces arise from the interplay of charge transfer, orbital reconstruction, and dimensional confinement, offering a route to engineered correlated-electron behavior in nanoscale spintronic materials.…

Two magnetic ordering transitions are found in InMnO3, the paramagnetic to antiferromagnetic transition near ~118 K and a lower possible spin rotation transition near ~42 K. Multiple length scale structural measurements reveal enhanced…

Using first-principles techniques, we study the structural, magnetic and electronic properties of (111)-oriented (LaMnO$_3$)$_{2n}$$\vert$(SrMnO$_3$)$_{n}$ superlattices of varying thickness ($n=2,4,6$). We find that the properties of the…

Motivated by the puzzling report of the observation of a ferromagnetic insulating state in LaMnO$_3$/SrTiO$_3$ heterostructures, we calculate the electronic and magnetic state of LaMnO$_3$, coherently matched to a SrTiO$_3$ square substrate…

The magnetic properties in manganite have been found to be highly sensitive to the doping and structural manipulations. Here, we report the effect of B-site bismuth doping on the magnetic and transport properties in La0.5Ca0.5Mn1-xBixO3…

Single-crystal synchrotron x-ray diffraction measurements in strong magnetic fields have been performed for magnetoelectric compounds GdMnO3 and TbMnO3. It has been found that the P || a ferroelectric phase induced by the application of a…

We study the electronic structure of the recently discovered diluted magnetic semiconductor Ga$_{1-x}$Cr$_{x}$N ($x$ = 0.01-0.10). A systematic study of the changes in the $occupied$ and $unoccupied$ ligand (N) partial density of states…

First principles density functional theory calculations within the GGA+U approximation were performed for LiMn$_{1-x}$M$_x$O$_{2}$, a candidate cathode material for lithium-ion batteries, with ($x=0.25$, M=Ni, Fe, Co, Mg), to investigate…

We have analyzed the experimental evidence of charge and orbital ordering in La0.5Sr1.5MnO4 using first principles band structure calculations. Our results suggest the presence of two types of Mn sites in the system. One of the Mn sites…

We study a simplified model of the electronic structure of compounds of the type of La$_{1-x}$Sr$_x$MnO$_3$. The model represents each Mn$^{4+}$ ion by a spin S=1/2, on which an electron can be added to produce Mn$^{3+}$. We include two…

The effects of substituting nonmagnetic Mg2+ and Zn2+ ions for the Mn2+ (S = 5/2) ions on the structural, magnetic and dielectric properties of the multiferroic frustrated antiferromagnet MnWO4 were investigated. Polycrystalline samples of…

The recent discovery of high-$T_c$ superconductivity in Ruddlesden-Popper (RP) nickelates has motivated extensive efforts to explore higher $T_c$ superconductors. Here, we systematically investigate Nd-doped La$_3$Ni$_2$O$_7$ using density…