Orbital Ordering and Spin-Ladder Formation in La2RuO5

The semiconductor-semiconductor transition of La2RuO5 is studied by means of augmented spherical wave (ASW) electronic structure calculations as based on density functional theory and the local density approximation. This transition has lately been reported to lead to orbital ordering and a quenching of the local spin magnetic moment. Our results hint towards an orbital ordering scenario which, markedly different from the previously proposed scheme, preserves the local S = 1 moment at the Ru sites in the low-temperature phase. The unusual magnetic behaviour is interpreted by the formation of spin-ladders, which result from the structural changes occurring at the transition and are characterized by antiferromagnetic coupling along the rungs.Comment: 5 pages, 4 figures, for more information see http://www.physik.uni-augsburg.de/~eyert

Non-intrinsic origin of the Colossal Dielectric Constants in CaCu3Ti4O12

The dielectric properties of CaCu3Ti4O12, a material showing colossal values of the dielectric constant, were investigated in a broad temperature and frequency range extending up to 1.3 GHz. A detailed equivalent circuit analysis of the results and two crucial experiments, employing different types of contacts and varying sample thickness, provide clear evidence that the apparently high values of the dielectric constant in CaCu3Ti4O12 are non-intrinsic and due to electrode polarization effects. The intrinsic properties of CaCu3Ti4O12 are characterized by charge transport via hopping of localized charge carriers and a relatively high dielectric constant of the order of 100.Comment: 4 pages, 4 figure

Broadband dielectric response of CaCu3Ti4O12: From dc to the electronic transition regime

We report on phonon properties and electronic transitions in CaCu3Ti4O12, a material which reveals a colossal dielectric constant at room temperature without any ferroelectric transition. The results of far- and mid-infrared measurements are compared to those obtained by broadband dielectric and millimeter-wave spectroscopy on the same single crystal. The unusual temperature dependence of phonon eigenfrequencies, dampings and ionic plasma frequencies of low lying phonon modes are analyzed and discussed in detail. Electronic excitations below 4 eV are identified as transitions between full and empty hybridized oxygen-copper bands and between oxygen-copper and unoccupied Ti 3d bands. The unusually small band gap determined from the dc-conductivity (~200 meV) compares well with the optical results.Comment: 7 pages, 8 figure

Broadband dielectric spectroscopy on single-crystalline and ceramic CaCu3Ti4O12

We present dielectric measurements of the colossal dielectric constant material CaCu3Ti4O12 extending up to 1.3 GHz also covering so far only rarely investigated single crystalline samples. Special emphasis is put on the second relaxation reported in several works on polycrystals, which we detect also in single crystals. For polycrystalline samples we provide a recipe to achieve values of the dielectric constant as high as in single crystals.Comment: 3 pages, 3 figure

Metal-to-insulator transition and magnetic ordering in CaRu_{1-x}Cu_xO_3

CaRuO_3 is perovskite with an orthorhombic distortion and is believed to be close to magnetic ordering. Magnetic studies of single crystal and polycrystalline CaRu_{1-x}Cu_xO_3 (0\le x \le 15 at.%Cu) reveal that spin-glass-like transition develops for x\le 7 at.%Cu and obtained value for effective magnetic moment p_{eff}=3.55 mu_B for x=5 at.% Cu, single crystal, indicates presence of Ru^{5+}. At higher Cu concentrations more complex magnetic behaviors are observed. Electrical resistivity measured on polycrystalline samples shows metal-to-insulator transition (MIT) at 51 K for only 2 at.% Cu. Charge compensation, which is assumed to be present upon Cu^{2+/3+} substitution, induces appearance of Ru^{5+} and/or creation of oxygen vacancies in crystal structure. Since the observed changes in physical properties are completely attributable to the charge compensation, they cannot be related to behaviors of pure compound where no such mechanism is present. This study provides the criterion for "good" chemical probes for studying Ru-based perovskites.Comment: 12 pages, 7 figure

Colossal dielectric constants in single-crystalline and ceramic CaCu3Ti4O12 investigated by broadband dielectric spectroscopy

In the present work the authors report results of broadband dielectric spectroscopy on various samples of CaCu3Ti4O12, including so far only rarely investigated single crystalline material. The measurements extend up to 1.3 GHz, covering more than nine frequency decades. We address the question of the origin of the colossal dielectric constants and of the relaxational behavior in this material, including the second relaxation reported in several recent works. For this purpose, the dependence of the temperature- and frequency-dependent dielectric properties on different tempering and surface treatments of the samples and on ac-field amplitude are investigated. Broadband spectra of a single crystal are analyzed by an equivalent circuit description, assuming two highly resistive layers in series to the bulk. Good fits could be achieved, including the second relaxation, which also shows up in single crystals. The temperature- and frequency-dependent intrinsic conductivity of CCTO is consistent with the Variable Range Hopping model. The second relaxation is sensitive to surface treatment and, in contrast to the main relaxation, also is strongly affected by the applied ac voltage. Concerning the origin of the two insulating layers, we discuss a completely surface-related mechanism assuming the formation of a metal-insulator diode and a combination of surface and internal barriers.Comment: 9 pages, 7 figure

Dielectric behavior of Copper Tantalum Oxide

A thorough investigation of the dielectric properties of Cu2Ta4O12, a material crystallizing in a pseudo-cubic, perovskite-derived structure is presented. We measured the dielectric constant and conductivity of single crystals in an exceptionally broad frequency range up to GHz frequencies and at temperatures from 25 - 500 K. The detected dielectric constant is unusually high (reaching values up to 105) and almost constant in a broad frequency and temperature range. Cu2Ta4O12 possesses a crystal structure similar to CaCu3Ti4O12, the compound for which such an unusually high dielectric constant was first observed. An analysis of the results using a simple equivalent circuit and measurements with different types of contact revealed that extrinsic interfacial polarization effects, derived from surface barrier capacitors are the origin of the observed giant dielectric constants. The intrinsic properties of Cu2Ta4O12 are characterized by a (still relatively high) dielectric constant in the order of 100 and by charge transport via hopping conduction of Anderson-localized charge carriers.Comment: 18 pages, 6 figures, submitted to Jouranl of Physical Chemestr

Transport, magnetic, thermodynamic and optical properties in Ti-doped Sr_2RuO_4

We report on electrical resistivity, magnetic susceptibility and magnetization, on heat capacity and optical experiments in single crystals of Sr_2Ru_(1-x)Ti_xO_4. Samples with x=0.1 and 0.2 reveal purely semiconducting resistivity behavior along c and the charge transport is close to localization within the ab-plane. A strong anisotropy in the magnetic susceptibility appears at temperatures below 100 K. Moreover magnetic ordering in c-direction with a moment of order 0.01 mu_B/f.u. occurs at low temperatures. On doping the low-temperature linear term of the heat capacity becomes reduced significantly and probably is dominated by spin fluctuations. Finally, the optical conductivity reveals the anisotropic character of the dc resistance, with the in-plane conductance roughly following a Drude-type behavior and an insulating response along c