Related papers: Stabilization Mechanism of ZnO nanoparticles by Fe…
Understanding the structure of ZnO surface reconstructions and their resultant properties is crucial to the rational design of ZnO-containing devices ranging from optoelectronics to catalysts. Here, we are motivated by recent experimental…
In this work, we employ first-principles simulations to investigate the spin polarization of CeO$_2$-(111) surface and its impact on interactions between a ceria support and Pt nanoparticles. For the first time, we report that the…
In Fe-based superconductors, electron doping is often realized by the substitution of transition-metal atoms for Fe. In order to investigate how the electronic structure of the parent compound is influenced by Zn substitution, which…
In this paper, a correlation between structural and magnetic properties of Fe implanted ZnO is presented. High fluence Fe^+ implantation into ZnO leads to the formation of superparamagnetic alpha-Fe nanoparticles. High vacuum annealing at…
Silver-doped ZnO nanoparticles were successfully fabricated at $400\,^{\circ}\mathrm{C}$ via a simple and rapid method based on short time solid state milling and calcination of precursor powders. The effect of Ag dilute doping on the…
It is shown that the polarization forces in a weakly ionized plasma lead to a substantial increase in the fluxes of neutral atoms and molecules to the surface of charged nanoparticles. Thus, the nanoparticles can change thermal balance due…
An unstable particle in quantum mechanics can be stabilized by frequent measurements, known as the quantum Zeno effect. A soliton with dissipation behaves like an unstable particle. Similar to the quantum Zeno effect, here we show that the…
ZnCoO is one of the most studied and promising semiconductor materials for spintronics applications. In this work we discuss optical and electrical properties of ZnCoO films and nanoparticles grown at low temperature by either Atomic Layer…
We review pitfalls in recent efforts to make a conventional semiconductor, namely ZnO, ferromagnetic by means of doping with transition metal ions. Since the solubility of those elements is rather low, formation of secondary phases and the…
FePt nanoparticles are known to exhibit reduced L1$_0$ order with decreasing particle size. The reduction in order reduces the magnetic anisotropy and the thermal stability of the direction of magnetization of the particle. The phenomenon…
Understanding and controlling the atomic structure of polar oxide surfaces is essential for unraveling surface reactivilty and designing advanced catalytic materials. Among these, the polar CeO2(100) surface is a prototypical and…
Polarization-induced renormalization of the frontier energy levels of interacting molecules and surfaces can cause significant shifts in the excitation and transport behavior of electrons. This phenomenon is crucial in determining the…
The metastable nature of the ferroelectric phase of HfO$_2$ is a significant impediment to its industrial application as a functional ferroelectric material. In fact, no polar phases exist in the bulk phase diagram of HfO$_2$, which shows a…
We investigated the influence of doping antiferromagnetic MnN in polycrystalline MnN/CoFe exchange bias systems, showing high exchange bias of up to 1800 Oe at room temperature. The thermal stability of those systems is limited by nitrogen…
Polaron-mediated charge transport in {\alpha}-Fe2O3 plays a central role in its performance as a gas-sensing material, yet the atomistic interaction between surface adsorbates and polarons remains insufficiently understood. Here, density…
We report Zn-doping effect in the parent and F-doped LaFeAsO oxy-arsenides. Slight Zn doping in LaFe$_{1-x}$Zn$_{x}$AsO drastically suppresses the resistivity anomaly around 150 K associated with the antiferromagnetic (AFM) spin density…
Density functional calculations are performed to investigate the room temperature ferromagnetism in GaN:Cu nanowires (NWs). Our results indicate that two Cu dopants are most stable when they are near each other. Compared to bulk GaN:Cu, we…
First principles calculations of the O surfaces of Co-ZnO show that substitutional Co ions develop large magnetic moments which long-range coupling depends on their mutual distance. The local spin polarization induced at the O atoms is…
We investigate a large variation in a diagonal component of the linear magnetoelectric (ME) susceptibility in a polar ferrimagnet Mn2Mo3O8 while changing the magnetic-ion site from orbital-quenched Mn2+ to Fe2+ with strong uniaxial…
We theoretically showed that the spontaneous polarization in ferroelectric (FE) nanowires (NWs) can be considerably enhanced due to the nanosize confinement by the first-principles calculations. The spontaneous polarization along the wire…