Iron vacancy superstructure and possible room temperature antiferromagnetic order in superconducting Cs_{y}Fe_{2-x}Se_2

Neutron and x-ray powder and single crystal synchrotron diffraction of CsyFe2-xSe2 show the presence of superstructure reflections with propagation vector k=[2/5, 1/5, 1] with respect to the average crystal structure I4/mmm (a = 4, c = 15A). The propagation vector star corresponds to the 5 times bigger unit cell given by transformation A=2a+b, B= -a+2b, C= c. A solution for the atomic structure is found in the space groups P42/n and I4/m with an ordered pattern of iron vacancies corresponding to the iron deficiency x = 0.29 and Cs stoichiometry y = 0.83. The superstructure satellites are more pronounced in the neutron diffraction patterns suggesting that they can have some magnetic contribution. We have sorted out possible symmetry adapted magnetic configurations and found that the presence of AFM ordering with the ordered magnetic moment of Fe with 2{\mu}B does not contradict to the experimental data. However, the solutions space is highly degenerate and we cannot choose a specific solution. Instead we propose possible magnetic configurations with the Fe magnetic moments in (ab)-plane or along c-axis. The superstructure is destroyed above Ts ~ 500 K by a first-order-like transition.Comment: 5 pages, 5 figures, 3 tables, Submitted to Phys Rev B, no change in manuscript. Fixed references to be automatically recognized by arxive syste

Sc2Ga2CuO7: A possible quantum spin liquid near the percolation threshold

Sc2Ga2CuO7 (SGCO) crystallizes in a hexagonal structure (space group: P63/mmc), which can be seen as an alternating stacking of single and double triangular layers. Combining neutron, x-ray, and resonant x-ray diffraction we establish that the single triangular layers are mainly populated by non-magnetic Ga3+ ions (85% Ga and 15% Cu), while the bi-layers have comparable population of Cu2+ and Ga3+ ions (43% Cu and 57% Ga). Our susceptibility measurements in the temperature range 1.8 - 400 K give no indication of any spin-freezing or magnetic long-range order (LRO).We infer an effective paramagnetic moment μeff = 1.79±0.09 μB and a Curie-Weiss temperature �CW of about −44 K, suggesting antiferromagnetic interactions between the Cu2+(S = 1/2) ions. Low-temperature neutron powder diffraction data showed no evidence for LRO down to 1.5 K. In our specific heat data as well, no anomalies were found down to 0.35 K, in the field range 0-140 kOe. The magnetic specific heat, Cm, exhibits a broad maximum at around 2.5 K followed by a nearly power law Cm/ T� behavior at lower temperatures, with � increasing from 0.3 to 1.9 as a function of field for fields upto 90 kOe and then remaining at 1.9 for fields upto 140 kOe. Our results point to a disordered ground state in SGCO

Room-temperature structural phase transition in the quasi-2D spin-1/2 Heisenberg antiferromagnet Cu(pz)2_2(ClO4_4)2_2

Cu(pz)$_2$(ClO$_4$)$_2$ (with pz denoting pyrazine C$_4$H$_4$N$_2$) is a two-dimensional spin-1/2 square-lattice antiferromagnet with $T_{\mathrm{N}}$ = 4.24 K. Due to a persisting focus on the low-temperature magnetic properties, its room-temperature structural and physical properties caught no attention up to now. Here we report a study of the structural features of Cu(pz)$_2$(ClO$_4$)$_2$ in the paramagnetic phase, up to 330 K. By employing magnetization, specific heat, $^{35}$Cl nuclear magnetic resonance, and neutron diffraction measurements, we provide evidence of a second-order phase transition at $T^{\star}$ = 294 K, not reported before. The absence of a magnetic ordering across $T^{\star}$ in the magnetization data, yet the presence of a sizable anomaly in the specific heat, suggest a structural order-to-disorder type transition. NMR and neutron-diffraction data corroborate our conjecture, by revealing subtle angular distortions of the pyrazine rings and of ClO$^-_4$ counteranion tetrahedra, shown to adopt a configuration of higher symmetry above the transition temperature.Comment: 10 pages, 12 figure

Low temperature crystal structure and local magnetometry for the geometrically frustrated pyrochlore Tb2Ti2O7

We report synchrotron radiation diffraction and muon spin rotation (muSR) measurements on the frustrated pyrochlore magnet Tb2Ti2O7. The powder diffraction study of a crushed crystal fragment does not reveal any structural change down to 4 K. The muSR measurements performed at 20 mK on a mosaic of single crystals with an external magnetic field applied along a three-fold axis are consistent with published a.c. magnetic-susceptibility measurements at 16 mK. While an inflection point could be present around an internal field intensity slightly above 0.3 T, the data barely support the presence of a magnetization plateau.Comment: To appear in the proceedings of the 13th International Conference on Muon Spin Rotation, Relaxation and Resonance, Grindelwald, Switzerland, 1-6 June 201

Jahn-Teller versus quantum effects in the spin-orbital material LuVO3

We report on combined neutron and resonant x-ray scattering results, identifying the nature of the spin-orbital ground state and magnetic excitations in LuVO3 as driven by the orbital parameter. In particular, we distinguish between models based on orbital Peierls dimerization, taken as a signature of quantum effects in orbitals, and Jahn-Teller distortions, in favor of the latter. In order to solve this long-standing puzzle, polarized neutron beams were employed as a prerequisite in order to solve details of the magnetic structure, which allowed quantitative intensity-analysis of extended magnetic excitation data sets. The results of this detailed study enabled us to draw definite conclusions about classical vs quantum behavior of orbitals in this system and to discard the previous claims about quantum effects dominating the orbital physics of LuVO3 and similar systems.Comment: Phys. Rev. B 91, 161104(R) (2015