Related papers: Structural relaxation around substitutional Cr3+ i…
In this article we report the structural stability of Er$_2$Ti$_2$O$_7$ cubic pyrochlore with pressure using x-ray diffraction, Raman spectroscopy, photoluminescence, x-ray absorption and ab-initio calculations. Our studies establish a…
We report an x-ray scattering study of octahedral tilt ordering in the manganite series Pr$_{1-x}$Ca$_x$MnO$_3$ with x=0.4 and 0.25 and in LaMnO$_3$. The sensitivity to tilt ordering is achieved by tuning the incident x-ray energy to the…
We report that calculating the Gibbs free energy of the alpha-Al_2O_3 (0001) surfaces in equilibrium with a realistic environment containing both oxygen and hydrogen species is essential for obtaining theoretical predictions consistent with…
Boron and Silicon site occupancies of the T2 phase in the Cr-Si-B system were investigated experimentally and by first-principles electronic-structure calculations within the scope of the Density Functional Theory (DFT). A sample with…
A spin-singlet ground state with a spin gap has been discovered in antiferromagnetic spin chain substances when the spin value is 1/2, 1 or 2. To find spin gap (singlet-triplet) excitations in spin-3/2 chain substances, we performed…
A comprehensive study of the structural properties of the heavily investigated rare-earth A2Ir2O7 series under extreme conditions is presented. The series is covered by studying iridates with A = Pr, Sm, Dy-Lu. Temperature- and…
Cu2OSeO3 is known as a unique example of insulating multiferroic compounds with skyrmion spin texture, which is characterized by the chiral cubic crystal structure at ambient pressure. Recently, it has been reported that this compound shows…
Synthesis and crystal structures are described for the compounds Ln2(Ti2-xLnx)O7-x/2, where Ln = Tb, Dy, Ho, Er, Tm, Yb, Lu, and x ranges from 0 to 0.67. Rietveld refinements on X-ray powder diffraction data indicate that in Tb and Dy…
Tetrahedrite-based ($\textrm{Cu}_{12}\textrm{Sb}_{4}\textrm{S}_{13}$) materials are candidates for good thermoelectric generators due to their intrinsic, very low thermal conductivity and high power factor. One of the current limitations is…
We explore the electronic band structure of free standing monolayers of chromium trihalides, CrX\textsubscript{3}{, X= Cl, Br, I}, within an advanced \emph{ab-initio} theoretical approach based in the use of Green's function functionals. We…
The electronic and local structural properties of CuO under pressure have been investigated by means of X-ray absorption spectroscopy (XAS) at Cu K edge and ab-initio calculations, up to 17 GPa. The crystal structure of CuO consists of Cu…
Temperature dependent synchrotron x-ray diffraction and extended x-ray absorption fine structure (EXAFS) studies were performed to understand the role of structural characteristics in driving the magnetoelectric mul- tiferoic properties of…
X-ray absorption fine structure measurements of the Sr and La K edges of the solid solution La(1-x)Sr(x)MnO(3) reveal a consistent deviation from a random distribution of Sr at the La/Sr sites for x~0.3. Local structural disorder on the…
We have calculated the electronic structure of V2O3 associated with the V3+ ions taking into account strong on-site electron correlations and the spin-orbit coupling. Closely lying 9 states of the subterm 3T1g are a physical reason for…
The 55Mn nuclear magnetic resonance spectrum of noncollinear 12-sublattice antiferromagnet Mn3Al2Ge3O12 has been studied in the frequency range of 200 - 640 MHz in the external magnetic field H || [001]} at T=1.2 K. Three absorption lines…
The collective behavior of interacting magnetic moments can be strongly influenced by the topology of the underlying lattice. In geometrically frustrated spin systems, interesting chiral correlations may develop that are related to the spin…
Chalcogenide phase-change materials (PCMs) are one of the most mature candidates for next-generation memory technology. Recently, CrGeTe3 (CrGT) emerged as a promising PCM due to its enhanced amorphous stability and fast crystallization for…
Exploring the physics of low-dimensional spin systems and their pressure-driven electronic and magnetic transitions are thriving research field in modern condensed matter physics. In this context, recently antiferromagnetic Cr-based…
Effects of Fe-substitution on the crystal structure and magnetic correlations of the geometrically frustrated antiferromagnets YBaCo4-xFexO7+{\delta} (x = 0, 0.2, 0.4, 0.5, 0.6, and 0.8) have been studied by neutron diffraction, M\"ossbauer…
A complete structural solution of the bilayer iridate compound Sr3Ir2O7 presently remains outstanding. Previously reported structures for this compound vary and all fail to explain weak structural violations observed in neutron scattering…