相关论文: Effect of ELF e.m. fields on metalloprotein redox-…
Uncontrolled crystal growth during electroreduction of reactive metals in liquid electrolytes produces porous, low-density, mossy metal deposits that grow primarily along the surface normal vector to a planar electrode substrate. The…
Point defects in Ga- and Al-doped ZnO thin films are studied by means of first principles electronic structure calculations. Candidate defects are identified to explain recently observed differences in electrical and spectroscopical…
The effect of rare-earth ions (R = Er$_3^+$, Tb$_3^+$, and Ce$_{3.75}^+$) on the dielectric properties and the electric polarization induced by local polar phase separation domains in solid solutions of R$_{0.8}$Ce$_{0.2}$Mn$_2$O$_5$ (R =…
Recently an antiferromagnetic metal phase has been proposed in double perovskites materials like Sr$_{2}$FeMoO$_{6}$ (SFMO), when electron doped. This material has been found to change from half-metallic ferromagnet to antiferromagnetic…
The search for sustainable alternatives to established materials is a sensitive topic in materials science. Due to their unique structural and physical characteristics, the composition of metal-organic frameworks (MOFs) can be tuned by the…
We have examined whether the Co ions crystallographically substitute on the Ti sites in rutile and anatase Ti_{1-x}$Co$_{x}$O$_{2-delta}$ thin films that exhibit room-temperature ferromagnetism. Intensities of the x-ray Bragg reflection…
We report intrinsic ferromagnetism in monolayer electrides or electrenes, in which excess electrons act as anions. Our first-principles calculations demonstrate that magnetism in such electron-rich two-dimensional (2D) materials originates…
Black phosphorus exhibits a layered structure similar to graphene, allowing mechanical exfoliation of ultrathin single crystals. Here we demonstrate few-layer black phosphorus field effect devices on Si/SiO$_2$ and measure charge carrier…
By studying Fe-doped ZnO pellets and thin films with various x-ray spectroscopic techniques, and complementing this with density functional theory calculations, we find that Fe-doping in bulk ZnO induces isovalent (and isostructural) cation…
The structural, optical and magnetic properties of the Zn1-xMnxO (0 < x < 0.05) thin films synthesized by sol-gel technique have been analyzed in the light of modification of the electronic structure and disorder developed in the samples…
Spectral distribution functions of electron-phonon interaction $\alpha^2F(\omega )$ obtained by ab initio linear--response calculations are used to describe various superconducting and transport properties in a number of elemental metals…
A superconducting-to-magnetic transition is reported for LaFe$_{1-x}$Mn$_x$AsO$_{0.89}$F$_{0.11}$ where a per thousand amount of Mn impurities is dispersed. By employing local spectroscopic techniques like muon spin rotation (muSR) and…
We calculate the nature of magnetic interactions in transition-metal doped ZnO using the local spin density approximation and LSDA+\textit{U} method of density functional theory. We investigate the following four cases: (i) single…
Recent experimental work has suggested that electroosmotic flows (EOF) through conical nanopores exhibit rectification in the opposite sense to the well-studied effect of ionic current rectification. A positive bias voltage generates large…
Layered topologically non-trivial and trivial semimetals with AFM-type ordering of magnetic sublattice are known to exhibit a negative magnetoresistance that is well correlated with AFM magnetization changes in a magnetic field. This effect…
Using Density functional theory (DFT) in conjunction with a solvation model we have investigated the phenomenon of eletrode-electrolyte interaction at the electrode surface and its consequences on the electrochemical properties like the…
Layered oxides exhibit high ionic mobility and chemical flexibility, attracting interest as cathode materials for lithium-ion batteries and the pairing of hydrogen production and carbon capture. Recently, layered oxides emerged as highly…
The electronic band structures of the LaOFeP superconductor have been calculated theoretically by the first principles method and measured experimentally by electron energy loss spectroscopy. The calculations indicate that the Fe atom in…
Metals exhibit nonequilibrium electron and lattice subsystems at transient times following femtosecond laser excitation. In the past four decades, various optical spectroscopy and time-resolved diffraction methods have been used to study…
We use a quantitative convergent beam electron diffraction (CBED) based method to image the valence electron density distribution in Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$. We show a remarkable increase in both the charge quadrupole of the Fe…