Related papers: Zr and Sn substituted (NaBi)TiO based solid soluti…

The rare physical property of negative thermal expansion (NTE) is intriguing because materials with large NTE over a wide temperature range can serve as high-performance thermal expansion compensators. However, applications of NTE are…

The surface structure of the SrTiO$_3$(110) polar surface is studied by scanning tunneling microscopy and X-ray photoelectron spectroscopy. Monophased reconstructions in (5$\times$1), (4$\times$1), (2$\times$8), and (6$\times$8) are…

The chemical changes of Ti/Er/n-Si(100) stacks evaporated in high vacuum and grown ex situ by rapid thermal annealing were scrutinized. The emphasis was laid on the evolution with the annealing temperature of (i) the Er-Si solid-state…

When a crystalline solid such as iron is cooled across a structural transition, its final microstructure depends sensitively on the cooling rate. For instance, an adiabatic cooling across the transition results in an equilibrium `ferrite',…

Two dimensional (2D) ferromagnetic materials have attracted much attention in the fields of condensed matter physics and materials science, but their synthesis is still a challenge given their limitations on structural stability and…

Zirconia (ZrO2) has emerged as a promising technical ceramic, both as high temperature structural material and thermal barrier coating material, etc. The traditional synthesis of ZrO2 with spark plasma sintering (SPS) usually requires a…

The ion-ion interactions become exponentially screened for ions confined in ultranarrow metallic pores. To study the phase behaviour of an assembly of such ions, called a superionic liquid, we develop a statistical theory formulated on…

Single phase Ni substituted LiCo1-xNixO2 solid solutions with x < 0.15 have been synthesized to study the effect of substitution on the magnetic behavior. Two different techniques, magnetic susceptibility and electron paramagnetic…

In this paper, the effect of Ar+ bombardment of SrTiO3:Nb surface layers is investigated on the macro- and nanoscale using surface-sensitive methods. After bombardment, the stoichiometry and electronic structure are changed distinctly…

Density functional theory calculations have been used to identify stable layered Li-$M$-B crystal structure phases derived from a recently proposed binary metal-sandwich (MS) lithium monoboride superconductor. We show that the MS lithium…

The thermal stability and melting behavior of ultrathin titanium nanowires with multi-shell cylindrical structures are studied using molecular dynamic simulation. The melting temperatures of titanium nanowires show remarkable dependence on…

We study the effect of synthesis temperature on the phase formation in nano(n)-SiC added bulk MgB2 superconductor. In particular we study: lattice parameters, amount of carbon (C) substitution, microstructure, critical temperature (Tc),…

We report a density functional theory plus dynamical mean field theory (DFT+DMFT) study of an oxide heterostructure of LaNiO$_3$ (LNO) bilayers in [111] direction interleaved with four atomic monolayers of LaAlO$_3$. DFT+$U$ optimizations…

Mn site is substituted with closed shell ions (Al, Ga. Ti, Zr and a certain combination of Zr and Al) and also with Fe and Ru ions carrying the magnetic moment (S=5/2 and 2 respectively) at a fixed concentration of 5 at. %. Substitution did…

First-principles molecular dynamics (FPMD) simulations were applied for the paraelectric-ferroelectric phase transition in the perovskite-type cadmium titanate, CdTiO3. Since the phase transition is reported to occur at the low temperature…

The magnetic and structural transformations in the nickel crystal within the temperature range 470 < T< 631 K is studied on the basis of general phenomenological theory of spin-orbit phase transitions. A new phase transition at Tls \approx…

The structural, dielectric and ferroelectric properties of lead-free (Na0.5-xKxBi0.5-xLax)TiO3 powders synthesized by sol-gel self-combustion method were investigated. Rietveld refinement of Synchrotron x-ray diffraction data confirms pure…

ZnO bulk crystals can be grown by several methods. 1) From the gas phase, usually by chemical vapor transport. Such CVT crystals may have high chemical purity, as the growth is performed without contact to foreign material. The…

SrTiO$_{3}$, a quantum paraelectric, becomes a metal with a superconducting instability after removal of an extremely small number of oxygen atoms. It turns into a ferroelectric upon substitution of a tiny fraction of strontium atoms with…

Monodispersed strontium titanate nanoparticles were prepared and studied in detail. It is found that ~10 nm as-prepared stoichiometric nanoparticles are in a polar structural state (with possibly ferroelectric properties) over a broad…