Related papers: Mixed valency and site-preference chemistry for Ce…
Transport properties of Ce$_{0.85}$F0.15SbS$_{2}$ and undoped CeOSbS$_{2}$ under high pressure were investigated experimentally and theoretically. Electrical resistivity measurements of the Ce$_{0.85}$F0.15SbS$_{2}$ single crystals were…
We study the structural, ferroelectric, and magnetic properties of the potentially multiferroic Aurivillius phase material Bi$_5$FeTi$_3$O$_{15}$ using first principles electronic structure calculations. Calculations are performed both with…
In this study, we report the effect of cerium (Ce) addition on the tension-compression yield and cyclic asymmetry in commercially pure magnesium (Cp-Mg) and Mg-Al alloy at room temperature (RT). The investigated materials Cp-Mg, Mg-0.5Ce,…
Defect physics of europium (Eu) doped GaN is investigated using first-principles hybrid density-functional defect calculations. This includes the interaction between the rare-earth dopant and native point defects (Ga and N vacancies) and…
The structure and quantum state of the reactants have a profound impact on the kinetics and dynamics of chemical reactions. Over the past years, significant advances have been made in the control and manipulation of molecules with external…
First single crystal fibers of cerium doped strontium yttrate are fabricated using the laser-heated pedestal growth technique. Through thermodynamic equilibrium calculations and by high-temperature mass spectrometry suitable growth…
We report on the study of the response to high pressures of the electronic and magnetic properties of several Sm-based compounds, which span at ambient pressure the whole range of stable charge states between the divalent and the trivalent.…
We investigate the Yb valence instabilities in the strongly correlated YbPd compound using resonant X-ray emission spectroscopy as a function of pressure across the charge-order (CO) transition. At a low temperature (T = 30 K) in the CO…
The spin- and charge-density-wave order parameters of the itinerant antiferromagnet chromium are measured directly with non-resonant x-ray diffraction as the system is driven towards its quantum critical point with high pressure using a…
Magnetoresistivity and Hall effect measured in magnetic fields up to B=9T (B||c, J||ab) in electron-doped $Nd_{2-x}$Ce_{x}Cu$O_{4+{\delta}} single crystal films with x = 0.14; 0.15; 0.18 and different oxygen content ({\delta}) were studied…
In this work, the memory equation approach is applied for theoretical study of dynamics of polar molecular liquids described by the interaction site model. The study includes the temperature-density(pressure) dependence of the translational…
Clarifying the origin of nematic state in FeSe is one of urgent problems in the field of iron-based superconductivity. Motivated by the discovery of a nematic solution in the density-functional theory implemented by on-site Coulomb…
We have measured the electrical resistivity of cerium monochalcogenices, CeS, CeSe, and CeTe, under high pressures up to 8 GPa. Pressure dependences of the antiferromagnetic ordering temperature $T_{N}$, crystal field splitting, and the…
Single crystals of Fe(1+x)Te(1-y)Se(y) have been grown with a controlled Fe excess and Se doping, and the crystal structure has been refined for various compositions. The systematic investigation of magnetic and superconducting properties…
CdTe and its alloy CdTeSe are widely used in optoelectronic devices, such as radiation detectors and solar cells, due to their superior electrical properties. However, the formation of defects and defect complexes in these materials can…
The ferroelectric properties of nanoscale silicon doped HfO$_2$ promise a multitude of applications ranging from ferroelectric memory to energy-related applications. The reason for the unexpected behavior has not been clearly proven and…
The effect of superposed dc and ac applied voltages on two types of spatially periodic instabilities in nematic liquid crystals, flexoelectric domains (FD) and electroconvection (EC), was studied. The onset characteristics, threshold…
The stationary functional of the all-electron density functional plus dynamical mean field theory (DFT+DMFT) formalism to perform free energy calculations and structural relaxations is implemented for the first time. Here, the first order…
Compositionally complex materials (CCMs) present a potential paradigm shift in the design of magnetic materials. These alloys exhibit long-range structural order coupled with limited or no chemical order. As a result, extreme local…
The discovery of a significantly large anomalous Hall effect in the chiral antiferromagnetic system - Mn$_3$Ge - indicates that the Weyl points are widely separated in phase space and positioned near the Fermi surface. In order to examine…