Superlattice formation lifting degeneracy protected by non-symmorphic symmetry through a metal-insulator transition in RuAs

The single crystal of RuAs obtained by Bi-flux method shows obvious successive metal-insulator transitions at T_MI1~255 K and T_MI2~195$ K. The X-ray diffraction measurement reveals a formation of superlattice of 3x3x3 of the original unit cell below T_MI2, accompanied by a change of the crystal system from the orthorhombic structure to the monoclinic one. Simple dimerization of the Ru ions is nor seen in the ground state. The multiple As sites observed in nuclear quadrupole resonance (NQR) spectrum also demonstrate the formation of the superlattice in the ground state, which is clarified to be nonmagnetic. The divergence in 1/T_1 at T_MI1 shows that a symmetry lowering by the metal-insulator transition is accompanied by strong critical fluctuations of some degrees of freedom. Using the structural parameters in the insulating state, the first principle calculation reproduces successfully the reasonable size of nuclear quadrupole frequencies for the multiple As sites, ensuring the high validity of the structural parameters. The calculation also gives a remarkable suppression in the density of states (DOS) near the Fermi level, although the gap opening is insufficient. A coupled modulation of the calculated Ru d electron numbers and the crystal structure proposes a formation of charge density wave (CDW) in RuAs. Some lacking factors remain, but it shows that a lifting of degeneracy protected by the non-symmorphic symmetry through the superlattice formation is a key ingredient for the metal-insulator transition in RuAs.Comment: 10 pages, 10 figure

Quantum Melting of Charge Order due to Frustration in Two-Dimensional Quarter-Filled Systems

The effect of geometrical frustration in a two-dimensional 1/4-filled strongly correlated electron system is studied theoretically, motivated by layered organic molecular crystals. An extended Hubbard model on the square lattice is considered, with competing nearest neighbor Coulomb interaction, V, and that of next-nearest neighbor along one of the diagonals, V', which favor different charge ordered states. Based on exact diagonalization calculations, we find a metallic phase stabilized over a broad window at V' ~ V even for large Coulomb repulsion strengths as a result of frustrating the charge ordered states. Slightly modifying the lattice geometry relevant to the actual organic compounds does not alter the results, suggesting that this `quantum melting' of charge order is a robust feature of frustrated strongly correlated 1/4-filled systems.Comment: 5 pages, 4 figures, to be published in Phys. Rev.

Ground state of the spin-1/2 chain of green dioptase at high fields

The gem-stone dioptase Cu6Si6O18.6H2O has a chiral crystal structure of equilateral triangular helices consisting of Cu-3d spins. It shows an antiferromagnetic order with an easy axis along c at TN = 15.5 K under zero field, and a magnetization jump at HC = 13.5 T when the field is applied along c-axis. By 29Si-NMR measurements, we have revealed that the high-field state is essentially the two sub-lattice structure, and that the component within ab-plane is collinear. The result indicates no apparent match with the geometrical pattern of helical spin chain.Comment: SCES2013, Hongo, Toky