相关论文: Vanadium-doped HfO$_2$, multiferroic uncompromised

UV sensing in pure ZnO is due to oxygen adsorption/desorption process from ZnO surface. Vanadium doping improves UV sensitivity of ZnO. Enhancement in UV sensitivity in doped ZnO is attributed to trapping and de-trapping of electrons at V4+…

We found, using density-functional theory calculations within the generalized gradient approximation, that Cs$_2$AgF$_4$ is stabilized in the insulating orthorhombic phase rather than in the metallic tetragonal phase. The lattice distortion…

We report spin polarized density functional calculations of ferromagnetic properties of a series of ZnO clusters and solid containing one or two substitutional carbon impurities. We analyze the eigen value spectra, spin densities and…

We report on high-field magnetic properties of the silver vanadium phosphate Ag(2)VOP(2)O(7). This compound has a layered crystal structure, but the specific topology of the V-P-O framework gives rise to a one-dimensional spin system, a…

Due to the low dimensionality in the quantization of the electronic states and degree of freedom for device modulation, two-dimensional (2D) ferromagnetism plays a critical role in lots of fields. In this study, we perform first-principles…

A new organically-templated vanadium (III) fluoride, (NH4)2(C2H8N)[V3F12], has been prepared using an ionothermal approach. This compound has a unique layered structure featuring distorted S = 1 kagome planes separated by the cationic…

Employing the state-of-the-art Density Functional Theory with both GGA and hybrid HSE06 functional along with the incorporation of spin-orbit coupling, we have engineered stable room temperature ferromagnetism in non-magnetic LaH$_3$…

We report the magnetic, dielectric and ferroelectric properties of polycrystalline iron vanadate(FeVO4), which has been recently found to exhibit multiferroicity in low temperature with noncollinear magnetic orderings. The influence of…

Using the first-principles spin density functional approach, we have studied magnetism of a new type of all-carbon nanomaterials, i.e., the carbon nanowires inserted into the single-walled carbon nanotubes. It is found that if the 1D carbon…

Microscopic mechanisms of the puzzling insulating ferromagnetism of half-filled La$_{4}$Ba$_{2}$Cu$_{2}$O$_{10}$ are elucidated with energy-resolved Wannier states. The dominant magnetic coupling, revealed through evaluated parameters ($t$,…

We report the optical and dielectric properties in hafnium (Hf)-doped lithium niobate (LN) crystals. We investigated samples of congruent composition with various doping concentration varying from 0 to 8 mol%. The clamped and unclamped…

The magnetic and electrical properties of nitrogen doped diamond system have been studied within the framework of a density functional theoretical approach. Spin-polarised calculations reveal that only the nitrogen doped system with…

Structural, impedance, ferroelectric and magnetic properties were examined in multiferroic Bi_{2}Fe_{4(1-x)}Co_{4x}O_{9} (0$\leq$x$\leq$0.02) ceramics synthesized via solid-state reaction method. X-ray diffraction analysis and Rietveld…

Development of spintronic and quantum computing devices increases demand for efficient, energy saving method of spin manipulation at molecular scale. Polyoxovanadate molecular magnets being susceptible to both electric and magnetic fields…

We study the electronic structure and magnetism of 25% Mn substituted cubic Zirconia (ZrO2) with several homogeneous and heterogeneous doping profiles using density-functional theory calculations. We find that all doping profiles show…

In contrast to semiconductors doped with transition metal magnetic elements, which become ferromagnetic at temperatures below ~ 100K, semiconductors doped with non-magnetic ions (e.g. silicon doped with phosphorous) have not shown evidence…

The crystal structure and the magnetic properties of the W1-xNbxO3-d, (x<0.03) system have been investigated. In contrast to the orthorhombic diamagnetic WO3, the material with x=0.01 is paramagnetic down to 5 K. Introducing of 2.5 at. % of…

We studied the electronic properties of beta-platinum dioxide ({\beta}-PtO2), a catalytic material, based on density functional theory. Using the GGA+U method which reproduces the GW band structures and the experimental structural…

Nowadays, designing and searching for materials with multiple functional characteristics are the key to achieving high-performance electronic devices. Among many candidates, two-dimensional multiferroic materials have great potential to be…

Optimally doped single crystals of Ba(Fe$_{1-x}$T$_x$)$_2$As$_2$ (T=Co, Ni) were irradiated with 1.4 GeV $^{208}$Pb$^{56+}$ ions at fluences corresponding to matching fields of $B_{\phi}=0.1, 0.5, 1$ and 2 T. Magneto-optical imaging has…