相关论文: Structural modulation in potassium birnessite sing…

This study presents a first-principles study at the level of hybrid-level density functional theory of the sodium intercalation process in a layered potassium birnessite (a layered manganese dioxide, {\delta}-MnO2). Understanding the…

Layered delafossite-type compounds and related transition metal dichalcogenides, characterized by their triangular net structures, serve as prototypical systems for exploring the intricate interplay between crystal structure and magnetic…

The crystal structure of potassium doped picene with an exact stoichiometry (K3C22H14, K3picene from here onwards) has been theoretically determined within Density Functional Theory allowing complete variational freedom of the crystal…

SmCrO$_3$ single crystals were successfully grown utilizing the high-pressure optical floating-zone method and their crystal structure, magnetization behavior, and magnetic phase diagrams were thoroughly investigated. Magnetic studies were…

Experimental data on the structure of ferroelectric oxide Bismuth Titanate suggests two different kinds of structures i.e. orthorhombic and monoclinic. We have performed density functional theory (DFT) based first principle calculations to…

The crystal and magnetic structure of polycrystalline $La{}_{0.5-x}Nd{}_{x}Ca_{0.5}MnO{}_{3}$ (0.0 \ensuremath{\le} x \ensuremath{\le} 0.5) samples have been investigated using magnetization, resistivity, transmission electron microscope,…

Single crystals of SrMn$_2$Ni$_6$Te$_3$O$_{18}$, a member of the ferroaxial-type magnetic oxide family $AB_{2}C_{6}$Te$_3$O$_{18}$ ($A$ = Pb, Sr; $B$ = Mn, Cd; $C$ = Ni, Co), have been successfully grown, and their structural, magnetic,…

We report growth of single crystals of the non-magnetic metallic delafossite PdRhO_{2}, comparing the results from three different methods. Complete crystallographic data were obtained from single crystal X-ray diffraction, and electronic…

We report the structural and magnetic characterizations of Ba3TeCo3P2O14, Pb3TeCo3P2O14, and Pb3TeCo3V2O14, compounds that are based on the mineral Dugganite, which is isostructural to Langasites. The magnetic part of the structure consists…

A decrease in microhardness along the (010) cleavage in potassium acid phthalate single crystals by 15--18% after the application of a permanent magnetic field was revealed for the first time. It is shown that the effect revealed is of the…

The crystal structure and local spontaneous polarization of (BaTiO3)m/(SrTiO3)n superlattices is calculated using a first-principles density functional theory method. The in-plane lattice constant is 1% larger than the SrTiO3 substrate to…

We studied the crystal and magnetic structure of the La$_{1-x}$Ca$_{x}$MnO$_{3}$ compound for $(0.11\leq x\leq 0.175)$ using stoichiometric samples. For $x<0.13$ the system's ground state is insulating canted antiferromagnetic. For $0.13\le…

Samarium doped BiFeO3 compounds having nano-size crystallites were prepared by the ethylene glycol assisted sol-gel synthesis method. X-ray diffraction and SEM measurements as well as Raman spectroscopy and FTIR experiments were used to…

7M orthorhombic modulated structure in the martensite phase of Ni1.8Pt0.2MnGa is reported by powder neutron diffraction study, which indicates that it is likely to exhibit magnetic field induced strain. The change in the unit cell volume is…

We measured the chemical and magnetic depth profiles of a single crystalline (La$_{1-x}$Pr$_x$)$_{1-y}$Ca$_y$MnO$_{3-{\delta}}$ (x = 0.52\pm0.05, y = 0.23\pm0.04, {\delta} = 0.14\pm0.10) film grown on a NdGaO3 substrate using x-ray…

Single crystals of EuPd2Sb2 have been grown from PdSb self-flux. The properties of the single crystals have been investigated by x-ray diffraction, magnetic susceptibility chi, magnetization M, electrical resistivity rho, Hall coefficient…

Using x-ray and neutron scattering, we have studied the structural and magnetic properties of the single-layer manganite La{1-x}Sr{1+x}MnO4 (0 < x < 0.7). Single crystals were grown by the traveling-solvent floating-zone method at 18 La/Sr…

First principles density functional theory DFT+U calculations and experimental neutron diffraction structure analyses were used to determine the low-temperature crystallographic and magnetic structure of bixbyite Mn2O3. The energies of…

The single layered manganite Pr$_{0.22}$Sr$_{1.78}$MnO$_4$ undergoes structural transition from high temperature tetragonal phase to low temperature orthorhombic phase below room temperature. The orthorhombic phase was reported to have two…

We studied the crystal and magnetic structure of the La$_{1-x}$Ca$_{x}$MnO$_{3}$ compound for $x=0.8$ and $x=0.85$. At T=300 K both samples are paramagnetic with crystallographic symmetry $Pnma$. At low temperatures they undergo a…