Related papers: Local structural distortions drive magnetic molecu…
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…
Motivated by the variation in reported lattice parameters of floating-zone-grown Nd$_{2}$Zr$_{2}$O$_{7}$ crystals, we have performed a detailed study of the relationship between synthesis environment, structural disorder, and magnetic…
Novel materials, which often exhibit surprising or even revolutionary physical properties, are necessary for critical advances in technologies. Simultaneous control of structural and physical properties via a small electrical current is of…
Cooperative Jahn-Teller ordering is well-known to drive the cubic $Fd\overline{3}m$ to tetragonal $I$4$_1$/$amd$ structural distortion in Mn$_3$O$_4$ at 1170 $^{\circ}$C. Further structural distortion occurs in Mn$_3$O$_4$ upon magnetic…
Accurate ab initio calculations on embedded Cu_4O_{12} square clusters, fragments of the La_2CuO_4 lattice, confirm a value of the nearest neighbor antiferromagnetic coupling (J=124 meV) previously obtained from ab initio calculations on…
We present a study of the magnetic susceptibility $\chi_{mol}$ under variable hydrostatic pressure on single crystals of Cs$_2$CuCl$_{4-x}$Br$_x$. This includes the border compounds \textit{x} = 0 and 4, known as good realizations of the…
The atomic environments involved in the magnetostriction effect in CoFe$_2$O$_4$ and La$_{0.5}$Sr$_{0.5}$CoO$_3$ polycrystalline samples have been identified by differential extended x-ray absorption fine structure (DiffEXAFS) spectroscopy.…
To unravel the origin of the dielectric anomaly at the antiferromagnetic ordering of magnetoelectric Bi$_2$Fe$_4$O$_9$ we performed neutron powder diffraction measurements across the N$\acute{\rm e}$el temperature, $T_{\rm N}$. Both local…
The magnetic pyrochlore oxide materials of general chemical formula R2Ti2O7 and R2Sn2O7 (R = rare earth) display a host of interesting physical behaviours depending on the flavour of rare earth ion. These properties depend on the value of…
The spin dimer system $\mathrm{Ba}_{3-x}\mathrm{Sr}_x\mathrm{Cr_2O_8}$ is a solid solution of the triplon Bose-Einstein condensation candidates $\mathrm{Ba_3Cr_2O_8}$ and $\mathrm{Sr_3Cr_2O_8}$. The magnetic intradimer interaction constant…
We report a correlation between structural phase stability and magnetic properties of Co2FeO4 spinel oxide. We employed mechanical alloying and subsequent annealing to obtain the desired samples. The particle size of the samples changes…
Using density-functional theory with the on-site Coulomb correction (the LDA+U method), we perform the structural optimization of BiMnO3 by starting from different experimentally reported structures. We confirm that irrespectively on the…
The crystal and magnetic structure of La_{1-x}Sr_{1+x}MnO_4 (0<x<0.7) has been studied by diffraction techniques and high resolution capacitance dilatometry. There is no evidence for a structural phase transition like those found in…
We report the synthesis, structure and physical properties of a new quaternary nitride LaCr$_2$Ge$_2$N. The compound crystallizes in the CeCr$_2$Si$_2$C-type structure (P4/mmm), featuring distinctive Cr$_2$N square sheets within…
The atomic distribution in amorphous FeZr alloys is found to be close to random, nevertheless, the composition can not be viewed as being homogenous at the nm-scale. The spatial variation of the local composition is identified as the root…
Magnetic defects have pronounced effects on the magnetic properties of the face-centered cubic compound LiV2O4. The magnetic defects arise from crystal defects present within the normal spinel structure. High-energy x-ray diffraction…
The effects of various point defects and lattice distortions on the structural, electronic, and magnetic properties of Co$_2$MnAl alloy are investigated using density functional theory calculations. For the point defects, six types of…
The electrochemical performance of the spinel LiNi0.5Mn1.5O4, a high-voltage positive electrode material for Li-ion batteries, is influenced by the transition metal arrangement in the octahedral network, leading to disordered (Fd m S.G.)…
The local atomic disorder and the electronic structure in the environment of manganese atoms in LaMnO_3 has been studied by x-ray absorption spectroscopy, over a temperature range (300K to 870K) covering the orbital ordering transition…
Local structural measurements have been performed on hexagonal HoMnO3 in order to ascertain the specific changes in bond distances which accompany magnetic ordering transitions. The transition from paramagnetic to the antiferromagetic…