Charge and orbital ordering in Na0.5CoO2

The ground state of Na_0.5CoO₂ has been calculated using the full potential local orbital method and local density approximation plus Hubbard U (); the results demonstrate that charge and orbital ordering evidently exist in the present system in association with the antiferromagnetic state. Notable structural features observed between 300 and 30 K have been carefully examined using in situ TEM investigations, a superstructure with a wave vector of Q1=a^∗/2, becoming commonly visible below , can be interpreted as the charge/orbital ordering on the Co1 and Co2 sites. Moreover, we have also observed another notable superstructure with Q2=a^∗/4 below the phase transition of , which suggests a more complicated orbital ordered state existing at lower temperatures.     

Crystal structure and structural transition caused by charge-transfer phase transition for iron mixed-valence complex (n-C3H7)4N[FeFe(dto)3] (dto=C2O2S2)

(n-C₃H₇)₄N[Fe^IIFe^III(dto)₃] shows a new type of first order phase transition called charge-transfer phase transition around 120 K, where the charge transfer between Fe^II and Fe^III occurs reversibly. Recently, we have succeeded in obtaining single crystals of the title complex and determined the crystal structure at room temperature. Crystal data: space group P6₃, Z=2. Moreover, we have investigated the structural transition caused by the charge-transfer phase transition by means of powder X-ray diffraction measurement. When the temperature is decreased, the a-axis, which corresponds to the hexagonal ring size in two-dimensional honeycomb network structure of [Fe^IIFe^III(dto)₃]_∞, contracts by 0.1 Å at the charge-transfer transition temperature (T_CT), while the c-axis, perpendicular to the honeycomb network layer, elongates by 0.1 Å at T_CT. Consequently, when the temperature is decreased, the unit cell volume decreases without noticeable anomaly around T_CT, which is responsible for the quite small vibrational contribution to the entropy change, compared with usual spin crossover transition. Thus, the charge-transfer phase transition around 120 K for (n-C₃H₇)₄N[Fe^IIFe^III(dto)₃] is regarded as spin entropy driven phase transition.     

Specific heat of (Ca1−xSrx)3Ru2O7 single crystals

We have measured the specific heat of crystals of (Ca_1−xSr_x)₃Ru₂O₇ using ac- and relaxation-time calorimetry. Special emphasis was placed on the characterization of the Néel () and structural () phase transitions in the pure, x=0 material. While the latter is believed to be first order, detailed measurements under different experimental conditions suggest that all the latent heat (with L∼0.3R) is being captured in a broadened peak in the effective heat capacity. The specific heat has a mean-field-like step at T_N, but its magnitude () is too large to be associated with a conventional itinerant electron (e.g. spin-density-wave) antiferromagnetic transition, while its entropy is too small to be associated with the full ordering of localized spins. The T_N transition broadens with Sr substitution while its magnitude decreases slowly. On the other hand, the entropy change associated with the T_c transition decreases rapidly with Sr substitution, and is not observable for our x=0.58 sample.     

Strong correlation effects and new phase transition at high pressure-low temperature in La0.5Ba0.5FeO3

The physical properties of La_0.5Ba_0.5FeO₃ perovskite have been investigated. The resistivity and magnetism change at around the charge disproportionation temperature. The ferromagnetic cluster-glass state appears when . Under 5 kbar pressure a new phase transition at 5.5 K is found in the magnetization measurement. The transition temperature increases with the increase of the applied pressure. It is suggested that this transition is induced by the spin state transition from to with the pressure increase.     

Ac magnetotransport in La0.7Sr0.3Mn0.95Fe0.05O3 at low dc magnetic fields

We report the ac electrical response of La_0.7Sr_0.3Mn_1−xFe_xO₃(x=0.05) as a function of temperature, magnetic field (H) and frequency of radio frequency (rf) current (). The ac impedance (Z) was measured while rf current directly passes through the sample as well as in a coil surrounding the sample. It is found that with increasing frequency of the rf current, Z(T) shows an abrupt increase accompanied by a peak at the ferromagnetic Curie temperature. The peak decreases in magnitude and shifts down with increasing value of H. We find a magnetoimpedance of for at around room temperature when the rf current flows directly through the sample and when the rf current flows through a coil surrounding the sample. It is suggested that the magnetoimpedance observed is a consequence of suppression of transverse permeability which enhances skin depth for current flow. Our results indicate that the magnetic field control of high frequency impedance of manganites is more useful than direct current magnetoresistance for low-field applications.     

The Hall-Lorenz number in the La1.855Sr0.145CuO4 single crystal

The temperature dependence of the Hall-Lorenz number () for the optimally doped La_1.855Sr_0.145CuO₄ (LSCO) has been obtained from the experimentally determined transverse and longitudinal transport coefficients. A comparison between L_xy(T) dependence found for LSCO and L_xy(T) reported previously for copper indicates that the Hall-Lorenz number in LSCO follows standard metallic behavior from room temperature down to . Below this temperature the L_xy coefficient deviates from regular metallic dependence in a way characteristic of an electronic system with lowered density of electronic states at the Fermi level. We present results of calculations provided in terms of the Boltzmann equation for a two-dimensional model of the electronic structure with a d-symmetrical pseudogap. A temperature T_max, where a maximum in the L_xy(T) dependence appears, turns out to be dependent on the width of the supposed pseudogap . The best agreement between the model and the experimental data was obtained for , which corresponds well with values reported previously by other groups.     

Effect of cation size and disorder on the power loss of La0.7(Ba1−xSrx)0.3MnO3

The power loss P_L of La_0.7(Ba_1-xSr_x)_0.3MnO₃ (0≤x≤1) as a function of temperature, frequency (f) and amplitude of flux density (B_p), has been studied to analyze the effect of A-site cation mean radius <r_A> and size-disorders σ². It is found that as f is lower than 1 MHz, P_L is proportional to in the low induction region, and in the high induction region, indicating that P_L is dominated by hysteresis losses. For f approaches 1 MHz, P_L of the majority of samples obeys a law, which may be attributed to eddy current loss. The temperature dependence of P_L displays a peak around the transition from ferromagnetic-metal to paramagnetic-insulator, resembling the feature of the Rayleigh constant η. This case further demonstrates that in the low frequency region, P_L predominantly originates from hysteresis loss. A decrease in σ² with increasing x, will relieve local strain, raising η, thus give rise to an increase in P_L.     

Structure, magnetic, and transport properties of the Co-doped manganites La0.9Te0.1Mn1−xCoxO3 (0≤x≤0.25)

The effect of Co doping at Mn-site on the structural, magnetic and electrical transport properties in electron-doped manganties La_0.9Te_0.1Mn_1−xCoxO₃ (0≤x≤0.25) has been investigated. The room temperature structural transition from rhombohedra to orthorhombic (Pbnm) symmetry is found in these samples with x≥0.20 by the Rietveld refinement of X-ray powder diffraction patterns. All samples undergo the paramagnetic-ferromagnetic (PM-FM) phase transition. The Curie temperature T_C of these samples decreases and the transition becomes broader with increasing Co-doping level. The magnetization magnitude of Co-doping samples increases at low temperatures with increasing Co-doping level for x≤0.15 and decreases with increasing Co-doping content further. The metal-insulator (M-I) transitions observed in the sample with x=0 are completely suppressed with Co doping, and the resistivity displays semiconducting behavior within the measured temperature region for these samples with x>0. All results are discussed according to the changes of the structure parameters and magnetic exchange interaction caused by Co-doping. In addition, the different effects between the Co doping and Cu doping in the Mn site for the electron-doped manganites are also discussed.     

Effects of doping Na on the structure and physical properties of La2/3Ca1/3MnO3

Effects of doping Na on the structure, electrical and magnetic properties of La_2/3Ca_1/3MnO₃ are investigated. A structural phase transition from orthorhombic to rhombohedral structure takes place at y=0.375. All samples show metal-insulator (M-I) transition at the transition temperature and undergo the transition from paramagnetism to ferromagnetism at the Curie temperature T_C. and T_C increase monotonically with increasing Na content. However the Na-doped samples have a shoulder in their electrical transport curves found below and shows a widened magnetic transition process. On the other hand, intrinsic colossal magnetoresistance (CMR) peaks are observed in all the samples, but samples with y around 0.25 show two MR peaks which can be attributed to magnetic inhomogeneity induced by the doped Na⁺ ions. Here we propose a method to broaden the CMR peak of perovskite manganite, which is beneficial for practical applications.     

Quantum critical behaviour in doped Y bB12 studied by ab initio calculations

The Kondo insulator Y bB₁₂ is known to undergo a transition to the metallic state with doping or under an external magnetic field. Within the virtual crystal approximation (VCA), we calculated the occupation of the Yb 4f and 5d shells, and , as a function of doping of Y bB₁₂ with the rare earths Tm and Lu. We found that exhibits an anomalous change at the critical concentration of the dopant, in agreement with experiment ( for Y b_1−xLu_xB₁₂ and for Y b_1−xTm_xB₁₂). We suggest that the critical behaviour seems to be strictly connected with the change of and in consequence the change of the Yb valency.     

Molecular dynamics of [(CH2OH)3CNH3]2SiF6 by phase transition of 178 K

We have investigated the molecular motions of TRIS⁺ ([(CH₂OH)₃CNH₃]⁺) and ions in the [(CH₂OH)₃CNH₃]₂SiF₆ crystal below room temperature from the measurements of the spin-lattice relaxation time T₁ and the NMR absorption line of ¹H and ¹⁹F nuclei, in order to elucidate the changes of the molecular motions by the phase transition of T_c=178 K. The narrowing of the ¹⁹F-NMR line was observed around T_c=178 K and the reorientation of the anion appears above T_c. Moreover, from the analysis of the temperature dependence of T₁, we have observed that the activation energy of the reorientational motion of ions changes from 0.168 eV (T>T_c) to 0.185 eV (T<T_c). Based on these results, we found that the reorientational motion of ions is closely related to the origin of the phase transition at T_c. In addition, from the measurement of the ¹H-NMR line, we also found that the reorientational motion of H₂ in the -CH₂OH group becomes active accompanied by the phase transition.     

Influence of niobium doping on the electrical properties of 0.58Pb(Sc1/2Nb1/2)O3-0.42PbTiO3 single crystal

Piezoelectric single crystals of 0.58Pb(Sc_1/2Nb_1/2)-0.42PbTiO₃ and Nb⁵⁺-doped PSN-PT have been grown using flux technique. It is believed that the addition of Nb⁵⁺ creates lead vacancy in order to compensate charge neutrality. The structural distortion that occured in the doped crystals has been revealed through broadening of some peaks in X-ray diffraction studies. Niobium content that increased from 0.50 to 1.00 mol% might have induced more defect dipoles associated with . This plays a significant role in improving the ferroelectric, dielectric and piezoelectric properties. Our observations clearly show an increase in the spontaneous polarization (P_r), dielectric constant at room temperature, degree of diffuseness and transition temperature (T_c) and also a decrease in coercive field. The reasons behind these enhanced electrical properties are discussed in detail.     

Field suppression of the modulated phase of Ce2Pd2Sn

Low temperature magnetic (M) and thermal (C_P) properties of the intermetallic compound Ce₂Pd₂Sn have been investigated at zero and different magnetic fields. Two transitions were recognized at and , with latter nearly coinciding with the extrapolated Curie-Weiss temperature . The Curie factor evaluated from T≥T_M, is ≈2μ_B. The positive value of θ_P, the triangular coordination of the magnetic (Ce) atoms and the weak effect of applied magnetic field, reveal that T_M cannot be considered as a canonic antiferromagnetic transition like claimed in the literature. M(T) measurements under moderate magnetic fields () show T_C(B) increasing while T_M(B) is practically not affected. Both transition merge in a critical point at for , where the intermediate phase is suppressed. At , the cusp of a first order transition is observed in C_P(T). According to the proposed ferromagnetic ground state, it is followed by a C_P(T)∝T^3/2exp(-E_g/T) dependence, with a gap of anisotropy .