Structural phase transition in IrTe2_2: A combined study of optical spectroscopy and band structure calculations

Ir$_{1-x}$Pt$_x$Te$_2$ is an interesting system showing competing phenomenon between structural instability and superconductivity. Due to the large atomic numbers of Ir and Te, the spin-orbital coupling is expected to be strong in the system which may lead to nonconventional superconductivity. We grew single crystal samples of this system and investigated their electronic properties. In particular, we performed optical spectroscopic measurements, in combination with density function calculations, on the undoped compound IrTe$_2$ in an effort to elucidate the origin of the structural phase transition at 280 K. The measurement revealed a dramatic reconstruction of band structure and a significant reduction of conducting carriers below the phase transition. We elaborate that the transition is not driven by the density wave type instability but caused by the crystal field effect which further splits/separates the energy levels of Te (p$_x$, p$_y$) and Te p$_z$ bands.Comment: 16 pages, 5 figure

Dilatometry study of the ferromagnetic order in single-crystalline URhGe

Thermal expansion measurements have been carried out on single-crystalline URhGe in the temperature range from 2 to 200 K. At the ferromagnetic transition (Curie temperature T_C = 9.7 K), the coefficients of linear thermal expansion along the three principal orthorhombic axes all exhibit pronounced positive peaks. This implies that the uniaxial pressure dependencies of the Curie temperature, determined by the Ehrenfest relation, are all positive. Consequently, the calculated hydrostatic pressure dependence dT_C/dp is positive and amounts to 0.12 K/kbar. In addition, the effective Gruneisen parameter was determined. The low-temperature electronic Gruneisen parameter \Gamma_{sf} = 14 indicates an enhanced volume dependence of the ferromagnetic spin fluctuations at low temperatures. Moreover, the volume dependencies of the energy scales for ferromagnetic order and ferromagnetic spin fluctuations were found to be identical.Comment: 5 page

Condensation of free volume in structures of nematic and hexatic liquid crystals

Eight novel liquid crystalline materials were prepared containing highly branched terminal chains, either 2,4,4-trimethylpentyl or 3,5,5-trimethylhexyl. All materials exhibit nematic mesophases, with additional smectic (Sm) C, hexatic B and SmI phases for certain homologues. Analysis by small- and wide-angle X-ray scattering reveals continual build-up of the correlation length within the nematic phases, where we also observe splitting of the small angle peak into four lobes, indicating pretransitional Sm fluctuations. Connoscopy confirms the nematic phase to be uniaxial and optically positive. We observe that in the solid state, the molecules exist as staggered antiparallel pairs as a consequence of the sterically demanding bulky terminal group, and this would also appear to manifest in the hexatic B phase, where the layer spacing was found to be greater than the molecular length. If true, this is an example of pair formation driven by sterics rather than dipole–dipole interactions and suggests that reentrant systems driven purely by steric frustration may be found

Ab initio evaluation of local effective interactions in α′NaV2O5\alpha^\prime NaV_2O_5

We will present the numerical evaluation of the hopping and magnetic exchange integrals for a nearest-neighbor $t-J$ model of the quarter-filled $\alpha^\prime NaV_2O_5$ compound. The effective integrals are obtained from valence-spectroscopy {\em ab initio} calculations of embedded crystal fragments (two $VO_5$ pyramids in the different geometries corresponding to the desired parameters). We are using a large configurations interaction (CI) method, where the CI space is specifically optimized to obtain accurate energy differences. We show that the $\alpha^\prime NaV_2O_5$ system can be seen as a two-dimensional asymmetric triangular Heisenberg lattice where the effective sites represent delocalized $V-O-V$ rung entities supporting the magnetic electrons.Comment: 24 pages, 5 figure