Peierls Instabilities in Quasi-One-Dimensional Quantum Double-Well Chains

Peierls-type instabilities in quarter-filled ($\bar{n}=1/2$) and half-filled ($\bar{n}=1$) quantum double-well hydrogen-bonded chain are investigated analytically in the framework of two-stage orientational-tunnelling model with additional inclusion of the interactions of protons with two different optical phonon branches. It is shown that when the energy of proton-phonon coupling becomes large, the system undergoes a transition to a various types of insulator states. The influence of two different transport amplitudes on ground states properties is studied. The results are compared with the pressure effect experimental investigations in superprotonic systems and hydrogen halides at low temperatures.Comment: 7 pages, RevTeX, 9 eps figure

Dielectric properties of BiFeO3 ceramics obtained from mechanochemically synthesized nanopowders

Dielectric behaviour of BiFeO3 ceramics,obtained by hot-pressing of nanopowders produced by mechanochemical synthesis from Bi2O3 and Fe2O3 oxides (weight ratio 2:1), was studied in the temperature range 125–575 K. The ceramics was found to exhibit step-like dielectric response ε*(T) with high permittivity values, similar to the behaviour of materials with giant dielectric permittivity. Three overlapping relaxation processes contribute to the dielectric response: i) relaxation in the lowtemperature range (220–420 K), characterized by activation energy of 0.4 eV, ii) relaxation in the temperature range 320–520 K with activation energy of 1.0 eV and iii) broad dielectric anomaly in the vicinity of 420 K, which disappears after 1 h annealing at 775 K. The lowtemperature relaxation is ascribed to the carrier hopping process between Fe2+ and Fe3+ ions. The presence of mixed valence of the Fe ions was proved by X-ray photoelectron spectroscopy. Dielectric relaxation in the middle-temperature range is considered as a result of grain boundary effect and internal barrier layers related to Bi25FeO40 phase as verified by X-ray diffraction. The high-temperature dielectric anomaly we relate to short-range hopping of ordered oxygen vacancies

Dielectric properties of BiFeO3 ceramics obtained from mechanochemically synthesized nanopowders

Dielectric behaviour of BiFeO3 ceramics,obtained by hot-pressing of nanopowders produced by mechanochemical synthesis from Bi2O3 and Fe2O3 oxides (weight ratio 2:1), was studied in the temperature range 125–575 K. The ceramics was found to exhibit step-like dielectric response ε*(T) with high permittivity values, similar to the behaviour of materials with giant dielectric permittivity. Three overlapping relaxation processes contribute to the dielectric response: i) relaxation in the lowtemperature range (220–420 K), characterized by activation energy of 0.4 eV, ii) relaxation in the temperature range 320–520 K with activation energy of 1.0 eV and iii) broad dielectric anomaly in the vicinity of 420 K, which disappears after 1 h annealing at 775 K. The lowtemperature relaxation is ascribed to the carrier hopping process between Fe2+ and Fe3+ ions. The presence of mixed valence of the Fe ions was proved by X-ray photoelectron spectroscopy. Dielectric relaxation in the middle-temperature range is considered as a result of grain boundary effect and internal barrier layers related to Bi25FeO40 phase as verified by X-ray diffraction. The high-temperature dielectric anomaly we relate to short-range hopping of ordered oxygen vacancies

Structural phase transitions and their influence on Cu+ mobility in superionic ferroelastic Cu6PS5I single crystals

The structural origin of Cu+ ions conductivity in Cu6PS5I single crystals is described in terms of structural phase transitions studied by X-ray diffraction, polarizing microscope and calorimetric measurements. Below the phase transition at Tc=(144-169) K Cu6PS5I belongs to monoclinic, ferroelastic phase, space group Cc. Above Tc crystal changes the symmetry to cubic superstructure, space group F-43c (a=19.528); finally at 274K disordering of the Cu+ ions increases the symmetry to F-43m, (a=9.794). The phase transition at 274K coincides well with a strong anomaly in electrical conductivity observed in the Arrhenius plot. Diffusion paths for Cu+ ions are evidenced by means of the atomic displacement factors and split model. Influence of the copper stechiometry on the Tc is also discussed.Comment: conference pape

Dy8SnS13.61O0.39 from single-crystal data

Crystals of the title dysprosium tin sulfide oxide, Dy8SnS13S1−xOx [x = 0.39 (4)], were obtained unintentionally from the Dy–Sn–S system. A statistical mixture of sulfur and oxygen was assumed for one position in the structure. S and O atoms surround each of the eight symmetrically non-equivalent dysprosium atoms. The Sn atoms are located in tetra­hedral surroundings of sulfur atoms. Trigonal prisms and tetra­hedra are connected to each other by their edges. All atoms are situated in mirror planes

Hydrogen transport in superionic system Rb3H(SeO4)2: a revised cooperative migration mechanism

We performed density functional studies of electronic properties and mechanisms of hydrogen transport in Rb3H(SeO4)2 crystal which represents technologically promising class M3H(XO4)2 of proton conductors (M=Rb,Cs, NH4; X=S,Se). The electronic structure calculations show a decisive role of lattice dynamics in the process of proton migration. In the obtained revised mechanism of proton transport, the strong displacements of the vertex oxygens play a key role in the establishing the continuous hydrogen transport and in the achieving low activation energies of proton conduction which is in contrast to the standard two-stage Grotthuss mechanism of proton transport. Consequently, any realistic model description of proton transport should inevitably involve the interactions with the sublattice of the XO4 groups.Comment: 11 pages, 11 figures, to appear in Physical Review