Related papers: Microstructural evolution throughout the structura…
A caged compound CeOs2Al10, crystallizing in the orthorhombic YbFe2Al10-type structure, undergoes a mysterious phase transition at T_0=29 K. We report the results of electron diffraction, magnetization, and magnetoresistance for single…
We report the synthesis, and structural and physical properties of CaFe4As3 single crystals. Needle-like single crystals of CaFe4As3 were grown out of Sn flux and the compound adopts an orthorhombic structure as determined by X-ray…
The nuclear and magnetic structure of Fe1+y(Te1-x,Sex) (0 < x < 0.20) compounds was analyzed between 2 K and 300 K by means of Rietveld refinement of neutron powder diffraction data. Samples with x < 0.075 undergo a tetragonal to monoclinic…
Spinel compounds AB$_{2}$X$_{4}$ consist of both tetrahedral (AX$_{4}$) and octahedral (BX$_{6}$) environments with the former forming a diamond lattice and the latter a geometrically frustrated pyrochlore lattice. Exploring the fascinating…
The thermodynamically stable long-range orbital order in bulk LaMnO3 becomes metastable at nanoscale around a critical particle size d_C~20 nm. The orbital order-disorder transition switches from reversible to irreversible at d_C while the…
We report measurements of structural phase transition of four parent compounds $R$FeAsO ($R$ = La, Sm, Gd, and Tb) by means of low-temperature X-ray diffraction (XRD). Magnetic transition temperatures associated with Fe ions ($T_{N1}$) are…
Low temperature magnetic and structural behavior of the extended Kagome system YBaCo4O7 has been studied by single crystal neutron diffraction and high-resolution powder X-ray diffraction. Long-range magnetic ordering associated with a…
First-order structural phase transition is a common phenomenon in materials that qualitatively alters their physical properties. Yet, the abrupt first-order nature is usually unexplained by realistic computations, implying an omission of…
We present detailed electronic structure calculations for CaFe2As2. We investigate in particular the `collapsed' tetragonal and orthorhombic regions of the temperature-pressure phase diagram and find properties that distinguish CaFe2As2…
We report a comprehensive neutron diffraction study of the crystal structure and magnetic order in a series of single-crystal and powder samples of SrFeO$_{3-\delta}$ in the vacancy range $0 \leq \delta \leq 0.23$. The data provide detailed…
Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs4…
Iron-based superconductors are well-known for their intriguing phase diagrams, which manifest a complex interplay of electronic, magnetic and structural degrees of freedom. Among the phase transitions observed are superconducting, magnetic,…
The cubic spinel FeCr2S4 has been receiving immense research interest because of its emergent phases and the interplay of spin, orbital and lattice degrees of freedom. Despite the intense research, several fundamental questions are yet to…
Magnetic structure evolution of multiferroic hexagonal $YMn_{1-x}Fe_{x}O_{3}$ (${x} = 0, 0.05,$ and $0.1$) has been studied by carrying out detailed temperature-dependent neutron diffraction at zero- and 5T-fields. Thermodynamic data…
Orthorhombic Y$_{1-x}$Ca$_x$MnO$_3$ ($0 \leq x \leq 0.5$) was prepared under high pressure and the variations with $x$ of its structural, magnetic, electrical properties and the polarized Raman spectra were investigated. The lattice…
Alloys with a first-order magnetic transition are central to solid-state refrigeration technology, sensors and actuators, or spintronic devices. The discontinuous nature of the transition in these materials is a consequence of the coupling…
Crystal and magnetic structures of the high-pressure stabilized perovskite phase of TlMnO3 have been studied by neutron powder diffraction. The crystal structure involves two types of primary structural distortions: a+b-b-octahedral tilting…
The orthorhombic compound NdFe$_2$Al$_{10}$ has been studied by powder and single-crystal neutron diffraction. Below $T_N$ = 3.9 K, the Nd$^{3+}$ magnetic moments order in a double-$k$ [$\mathbf{k}_1 = (0, \frac{3}{4}, 0)$, $\mathbf{k}_2 =…
Direct quantitative correlations between the orbital order and orthorhombicity is achieved in a number of Fe-based superconductors of 122 family. The former (orbital order) is calculated from first principles simulations using…
We show how microstructure can arise in first-order ferroelastic structural transitions, in two and three spatial dimensions, through a local meanfield approximation of their pseudospin hamiltonians, that include anisotropic elastic…