Unique Crystal Structure of Ca_{2}RuO_{4} in the Current Stabilized Semimetallic State.

The electric-current stabilized semimetallic state in the quasi-two-dimensional Mott insulator Ca_{2}RuO_{4} exhibits an exceptionally strong diamagnetism. Through a comprehensive study using neutron and x-ray diffraction, we show that this nonequilibrium phase assumes a crystal structure distinct from those of equilibrium metallic phases realized in the ruthenates by chemical doping, high pressure, and epitaxial strain, which in turn leads to a distinct electronic band structure. Dynamical mean field theory calculations based on the crystallographically refined atomic coordinates and realistic Coulomb repulsion parameters indicate a semimetallic state with partially gapped Fermi surface. Our neutron diffraction data show that the nonequilibrium behavior is homogeneous, with antiferromagnetic long-range order completely suppressed. These results provide a new basis for theoretical work on the origin of the unusual nonequilibrium diamagnetism in Ca_{2}RuO_{4}.

Guidelines for communicating commensurate magnetic structures. A report of the International Union of Crystallography Commission on Magnetic Structures.

A report from the International Union of Crystallography Commission on Magnetic Structures outlining the recommendations for communicating commensurate magnetic structures.

Strain control of a bandwidth-driven spin reorientation in Ca3Ru2O7.

The layered-ruthenate family of materials possess an intricate interplay of structural, electronic and magnetic degrees of freedom that yields a plethora of delicately balanced ground states. This is exemplified by Ca3Ru2O7, which hosts a coupled transition in which the lattice parameters jump, the Fermi surface partially gaps and the spins undergo a 90∘ in-plane reorientation. Here, we show how the transition is driven by a lattice strain that tunes the electronic bandwidth. We apply uniaxial stress to single crystals of Ca3Ru2O7, using neutron and resonant x-ray scattering to simultaneously probe the structural and magnetic responses. These measurements demonstrate that the transition can be driven by externally induced strain, stimulating the development of a theoretical model in which an internal strain is generated self-consistently to lower the electronic energy. We understand the strain to act by modifying tilts and rotations of the RuO6 octahedra, which directly influences the nearest-neighbour hopping. Our results offer a blueprint for uncovering the driving force behind coupled phase transitions, as well as a route to controlling them.

Mode-crystallography analysis and magnetic structures of SrLnFeRuO6 (Ln = La, Pr, Nd) disordered perovskites.

The crystal and magnetic structures of SrLnFeRuO(6) (Ln = La, Pr, Nd) double perovskites have been investigated. All compounds crystallize with an orthorhombic Pbnm structure at room temperature. These materials show complete chemical disorder of Fe and Ru cations for all compounds. The distortion of the structure, relative to the ideal cubic perovskite, has been decomposed into distortion modes. It has been found that the primary modes of the distortion are octahedral tilting modes: R(4)(+) and M(3)(+). The crystal structure of SrPrFeRuO(6) has been studied from room temperature up to 1200 K by neutron powder diffraction. There is a structural phase transition from orthorhombic (space group Pbnm) to trigonal (space group R3c) at T = 1075 K. According to group theory no second-order transition is possible between these symmetries. Magnetic ordering for all the compounds is described by the magnetic propagation vector (0,0,0). SrPrFeRuO(6) shows ferrimagnetic order below ca 475 K, while SrLaFeRuO(6) (below ca 450 K) and SrNdFeRuO(6) (below ca 430 K) exhibit canted-antiferromagnetic order. The magnetic moments at low temperatures are m(Fe/Ru) = 1.88 (3)µ(B) for SrLaFeRuO(6) (2 K), m(Pr) = 0.46 (4)µ(B) and m(Fe/Ru) = 2.24µ(B) for SrPrFeRuO(6) (2 K), and m(Fe/Ru) = 1.92µ(B) for SrNdFeRuO(6) (10 K).

Hysteretic structural changes within five-layered modulated 10M martensite of Ni-Mn-Ga(-Fe).

Modulated structure of Ni-Mn-Ga-based alloys is decisive in their magnetic shape memory (MSM) functionality. However, the precise nature of their five-layered modulated 10M martensite is still an open question. We used x-ray and neutron diffraction experiments on single crystals to investigate structural changes within 10M-modulated martensite of the Ni50Mn27Ga22Fe1MSM alloy. The modulation vector gradually increases upon cooling from commensurateq= (2/5)g110, whereg110is the reciprocal lattice vector, to incommensurate withqup to pseudo-commensurateq= (3/7)g110. Upon heating, reverse changes are observed with a thermal hysteresis of ≈60 K. The same hysteretic behaviour was detected in the electrical resistivity and the effective elastic modulus. Scanning electron microscopy showed that the changes are accompanied by the refinement of thea/blaminate. These observations indicate that the commensurate state is a metastable form of 10M martensite. Upon cooling, this phase evolves through nanotwinning into a more irregular and more stable incommensurate structure.

Synthesis, structural, magnetic and phase-transition studies of the ferromagnetic La2CoMnO6 double perovskite by symmetry-adapted modes.

A powdered La2CoMnO6 double perovskite was synthesized by the solid-state reaction method, and its crystal structure was investigated by (mode-crystallography) Rietveld analysis using X-ray and neutron powder diffraction data. La2CoMnO6 material is a monoclinic perovskite at room temperature, adopting the space group P21/n (a(-)a(-)b(+)), , c ≈ 2ap and Z = 2. The P21/n phase can be described effectively by three distortion modes (GM4(+), X3(+), X5(+)) of the Fm3[combining macron]m (a(0)a(0)a(0)) parent phase. The comparative study of the material and those in the Ln2CoMnO6 and Ln2NiMnO6 families has shown a general trend in nearly all the materials, has served to select a common direction in the sub-space spanned by X5(+), tri-linearly coupled to the order parameters of the cubic to monoclinic first order phase transition. This direction has been used to parametrize the refinements and to perform reliable refinements in the high-temperature intermediate distorted trigonal phase, R3[combining macron] (a(-)a(-)a(-)), for which only one effectively acting irrep has been deduced: GM5(+), physically a tilt of the oxygen sharing octahedra of Co and Mn. Its temperature evolution up to the prototype cubic phase has been fitted in the framework of the Landau Theory of Phase Transitions, showing a behavior typical of a tricritical point. The low-temperature neutron powder diffraction data have served to solve the magnetic structure: three indistinguishable ferromagnetic models with the space groups P21/n and P2/n' are proposed.