Photosensitive structure from the tetragonal modification of ZnP<Subscript>2</Subscript> single crystals

Single crystals of ZnP₂ with a developed natural faceting characteristic of tetragonal symmetry were grown for the first time using a resublimation method. The atomic composition and crystal cell constants of t-ZnP₂ tetragonal crystals were determined. Structures that feature the straightening and photovoltaic effect covered the natural faces of the crystals. Studies of the photosensitivity of the obtained structures in natural and linearly polarized radiation made it possible to elucidate the character of interband transitions and to estimate the forbidden-band gap for the t-ZnP₂ crystals. Natural photopleochroism has been found and studied in structures based on single crystals with the natural faceting. It is concluded that ZnP₂ can be used as a highly efficient converter of solar radiation. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 76, No. 2, pp. 237–242, March–April, 2009.     

Electronic structure,ferroelectricity and optical properties of CaBi<Subscript>2</Subscript>Ta<Subscript>2</Subscript>O<Subscript>9</Subscript>

Using first-principles calculations based on density-functional theory in its local-density approximation, we investigated the Electronic structure, ferroelectricity and optical properties of CaBi₂Ta₂O₉ (CBT) for the first time. It is found that CBT compound has an indirect band gap of 3.114 eV and the O 2s and 2p states are strongly hybridized with the 6s states of Bi which belong to the (Bi₂O₂)²⁺ planes. The quite strong Ta–O and Bi–O hybridization is the primary source for ferroelectricity. Our results imply that the interaction between Bi and O is highly covalent. The anisotropy occurs mainly above 4 eV in the optical properties. The different optical properties have been discussed.     

Ionic conduction and effect of cation doping in Tl<Subscript>4</Subscript>HgI<Subscript>6</Subscript>

The ionic conduction properties of undoped and doped Tl₄HgI₆ were investigated using electrical conductivity, dielectrics, differential scanning calorimetry, and X-ray diffraction techniques. The heavy Tl⁺-ions diffusion was activated at high temperature, whereas low conductivity at the lower temperature suggested electronic contribution in undoped Tl₄HgI₆. The partial replacement of heavy Tl⁺ ion by suitable cations (Ag⁺ and Cu⁺) enhanced the conductivity by several orders of magnitude, whereas diminution in conductivity results with increasing dopants’ concentration in Tl₄HgI₆. These results can be interpreted in terms of a lattice contraction and vacancy–vacancy interaction (leading to the cluster formation), respectively. The dielectric values of undoped Tl₄HgI₆ system gradually increasing with temperature, followed by a sharp change, were observed around 385 K and can be explained on the basis of increasing number of space charge polarization and ions jump orientation effects. The activation energy of undoped and doped Tl₄HgI₆ systems were calculated, and it was found that ionic conductivity activation energy for 5 mol% of cation dopants is much lower than that of undoped one, and also 10 mol% doped Tl₄HgI₆ systems.     

Defect characterization of Ga<Subscript>4</Subscript>Se<Subscript>3</Subscript>S layered single crystals by thermoluminescence

Trapping centres in undoped Ga ₄Se ₃S single crystals grown by Bridgman method were characterized for the first time by thermoluminescence (TL) measurements carried out in the low-temperature range of 15 ?300 K. After illuminating the sample with blue light (～470 nm) at 15 K, TL glow curve exhibited one peak around 74 K when measured with a heating rate of 0.4 K /s. The results of the various analysis methods were in good agreement about the presence of one trapping centre with an activation energy of 27 meV. Analysis of curve fitting method indicated that mixed order of kinetics dominates the trapping process. Heating rate dependence and distribution of the traps associated with the observed TL peak were also studied. The shift of peak maximum temperature from 74 to 113 K with increasing rate from 0.4 to 1.2 K /s was revealed. Distribution of traps was investigated using an experimental technique based on cleaning the centres giving emission at lower temperatures. Activation energies of the levels were observed to be increasing from 27 to 40 meV by rising the stopping temperature from 15 to 36 K.     

Frequency dispersion of dielectric coefficients of layered TlGaS<Subscript>2</Subscript> single crystals

Frequency dependence of the dissipation factor tanδ, the permittivity ɛ, and the ac conductivity σ_ac across the layers in the frequency range f=5×10⁴−3×10⁷ Hz was studied in layered TlGaS₂ single crystals. A significant dispersion in tanδ was observed in the frequency range 10⁶−3×10⁷ Hz. In the range of frequencies studied, the permittivity of TlGaS₂ samples varied from 26 to 30. In the frequency range 5×10⁴−10⁶ Hz, the ac conductivity obeyed the f ^0.8 law, whereas for f>10⁶ Hz σ_ac was proportional to f ². It was established that the mechanism of the ac charge transport across the layers in TlGaS₂ single crystals in the frequency range 5×10⁴−10⁶ Hz is hopping over localized states near the Fermi level. Estimations yielded the following values of the parameters: the density of states at the Fermi level N _F=2.1×10¹⁸ eV⁻¹ cm⁻³, the average time of charge carrier hopping between localized states τ=2 μs, and the average hopping distance R=103 ?. __________ Translated from Fizika Tverdogo Tela, Vol. 46, No. 6, 2004, pp. 979–981. Original Russian Text Copyright ? 2004 by Mustafaeva.     

Optical absorption in layered MnGaInS<Subscript>4</Subscript> single crystals

Optical absorption in MnGaInS₄ single crystals has been studied. Direct and indirect optical transitions are found to occur in the range of photon energies of 2.37–2.74 eV and in the temperature range of 83–270 K. The temperature dependence of the band gap has been determined; its temperature coefficients E _gd and E _gi are −5.06 × 10⁻⁴ and −5.35 × 10⁻⁴ eV/K, respectively. MnGaInS4 single crystals exhibit anisotropy in polarized light at the absorption edge; the nature of this anisotropy is explained.     

Magnetic properties of Pb<Subscript>2</Subscript>Fe<Subscript>2</Subscript>Ge<Subscript>2</Subscript>O<Subscript>9</Subscript> single crystals

Single crystals of Pb₂Fe₂Ge₂O₉ have been grown. They were subjected to X-ray diffraction, magnetic, neutron diffraction, Mössbauer and spin resonance studies. It has been established that Pb₂Fe₂Ge₂O₉ is a weak ferromagnet with a Néel temperature T _N = 46 K, and the exchange and spin-flop transition fields have been estimated. It has been demonstrated that the weak ferromagnetic moment is actually the result of the single-ion anisotropy axes for the magnetic moments of different magnetic sublattices being not collinear.     

The Urbach tails and optical absorption in layered semiconductor TlGaSe<Subscript>2</Subscript> and TlGaS<Subscript>2</Subscript> single crystals

TlGaSe₂ and TlGaS₂ single crystals were grown by the modified Bridgman-Stockbarger method. We report the result of an experimental study of the optical absorption of TlGaSe₂ and TlGaS₂ crystals. The absorption measurements were performed in steps of 10 K. The direct and indirect band gaps for TlGaSe₂ and TlGaS₂ samples were calculated as a function of temperature. The phonon energies in TlGaSe₂ and TlGaS₂ crystals were calculated as (39±4) and (9±4) meV at 240 K, respectively. At 10 K, direct and indirect band gaps were found as 2.294 and 2.148 eV for TlGaSe₂, 2.547 and 2.521 eV for TlGaS₂ crystals, respectively. The abrupt changes were observed in the direct and indirect band gaps in the some temperature ranges. These changes were interpreted as phase transformation temperatures. The steepness parameters and Urbach energy for TlGaSe₂ and TlGaS₂ samples increased with increasing sample temperature in the range (10–320) K.     

Thermoelectric Properties of the TlBiS<Subscript>2</Subscript>-PbS Alloys

High efficiency of thermoelectric conversion can be achieved by using materials with a high Seebeck coefficient, high electrical conductivity, and low thermal conductivity. Mass-difference-scattering of the phonons is one of the most effective way for reducing the thermal conductivity in bulk thermoelectric materials. Investigations of transport phenomena in (TlBiS₂)_1-x (2PbS)_x alloys system have shown that in solid solutions of the (A³B⁵C ₂ ⁶ )_1-x (2A⁴B⁶)_x type at cation substitution according to scheme 2A⁴⁽⁺²⁾ A ³⁽⁺¹⁾ + B⁵⁽⁺³⁾ occurs a strong decrease of the lattice thermal conductivity. In the vicinity of x = 0. 50 the lattice part of thermal conductivity of (TlBiS₂)_1-x (2PbS)_x alloys decreases down to 0. 26 W/mK, i. e., it approaches the theoretical minimum. As a result, the thermoelectric figure of merit for these alloys ( 25%) exceeds the respective value for lead sulfide at room temperature.     

Study on the spin-states of cobalt-based double-layer perovskite Sr<Subscript>2</Subscript>Y<Subscript>0.5</Subscript>Ca<Subscript>0.5</Subscript>Co<Subscript>2</Subscript>O<Subscript>7</Subscript>

The spin-states of cobalt based perovskite compounds depend sensitively on the valence state and local crystal environment of Co ions and the rich physical properties arise from strong coupling among charge, spin, and orbital degrees of freedom. While extensive studies have been carried out in the past, most of them concentrated on the isotropic compound LaCoO₃. In this paper, using the unrestricted Hartree-Fock approximation and the real-space recursion method, we have investigated the competition of various magnetically ordered spin-states of anisotropic double-layered perovskite Sr₂Y_0.5Ca_0.5Co₂O₇. The energy comparison among these states shows that the nearest-neighbor high-spin-intermediate-spin ferromagnetically ordered state is the relevant magnetic ground state of the compound. The magnetic structure and sizes of magnetic moments are consistent with the recent experimental observation.     

Melting temperature of H<Subscript>2</Subscript>, D<Subscript>2</Subscript>, N<Subscript>2</Subscript> and CH<Subscript>4</Subscript> under high pressure

The melting temperatures of H₂, D₂; N₂ and CH₄ are analysed. The computed results are in very good agreement with the experimental data in each solid. Further, the analysis indicates the presence of the melting maximum in these solids.     

Galvanomagnetic properties of atomically disordered Sr<Subscript>2</Subscript>RuO<Subscript>4</Subscript> single crystals

The effect of neutron-bombardment-induced atomic disorder on the galvanomagnetic properties of Sr₂RuO₄ single crystals has been experimentally studied in a broad range of temperatures (1.7–380 K) and magnetic fields (up to 13.6 T). The disorder leads to the appearance of negative temperature coefficients for both the in-plane electric resistivity (ρ_a) and that along the c axis (ρ_c), as well as the negative magnetoresistance Δρ, which is strongly anisotropic to the magnetic field orientation (H ∥ a and H ∥ c), with the easy magnetization direction along the c axis and a weak dependence on the probing current direction in the low-temperature region. The experimental ρ_a(T) and ρ_c(T) curves obtained for the initial and radiation-disordered samples can be described within the framework of a theoretical model with two conductivity channels. The first channel corresponds to the charge carriers with increased effective masses (～10m _e , where m _e is the electron mass) and predominantly electron-electron scattering, which leads to the quadratic temperature dependences of ρ_a and ρ_c. The second channel corresponds to the charge carriers with lower effective masses exhibiting magnetic scattering at low temperatures, which leads to the temperature dependence of the ρ_{a, c}(T) ∝ 1/T type.     

Exciton spectra of layered PbI<Subscript>2</Subscript> and PbI<Subscript>2</Subscript>:Zr crystals

We have analyzed the surface morphology of single crystal samples of lead diiodide and studied the absorption edge and the temperature variation of their photoluminescence spectra. We have established that the zirconium impurity is uniformly incorporated into the crystal lattice of the samples and promotes appreciable quenching of photoluminescence due to formation of electron traps. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 2, pp. 252–257, March–April, 2007.     

Mixed (ionic and hole) conductivity of Tl<Subscript>3</Subscript>VS<Subscript>4</Subscript> crystals

A model of mixed (ionic and hole) conductivity in Tl₃VS₄ crystals at close-to-room temperatures is proposed. The significant fraction of the ionic conductivity component (～70% of the total conductivity) is explained by the nonstoichiometric electrically active thallium vacancies, whose acceptor levels provide p-type conductivity. The characteristic time dependence of the voltage developing across a sample due to its polarization and depolarization is described using the diffusion theory of mixed conductivity previously developed by Yokota. The charge transport phenomena in Tl₃VS₄ are studied experimentally, and the data are processed according to the theoretical model.     

Thulium doped monoclinic KLu(WO<Subscript>4</Subscript>)<Subscript>2</Subscript> single crystals: growth and spectroscopy

This paper presents the crystal growth and optical characterization of thulium-doped KLu(WO₄)₂ (KLuW). Thulium-doped KLuW macrodefect-free monoclinic single crystals (a^*×b×c≈10×7×15 mm³) were grown by the top seeded solution growth slow cooling method with dopant concentrations of 0.5%, 1%, 3% and 5% atomic in solution. The evolution of unit cell parameters in relation with thulium doping was studied by X-ray powder patterns. Thulium energy levels in the KLuW host were determined by 6 K polarized optical absorption. The Judd–Ofelt parameters determined were Ω₂=9.01×10^-20 cm², Ω₄=1.36×10^-20 cm² and Ω₆=1.43×10^-20 cm². The maximum emission cross section for the 1.9 μm emission, calculated by Füchtbauer–Ladenburg method, is 1.75×10^-20 cm², at 1845 nm with E//N_m. The intensity decay time from the emitting levels ¹ G ₄ and ³ H ₄ levels in relation to the concentration were studied. For the lowest thulium concentration, the measured decay times from ¹ G ₄ and ³ H ₄ emitting levels are 140 μs and 230 μs, respectively. PACS 42.55.Rz; 78.20.-e; 78.55.-m     

Specific features of electrical conductivity of V<Subscript>3</Subscript>O<Subscript>5</Subscript> single crystals

The electrical conductivity of V₃O₅ single crystals has been investigated over a wide temperature range, including the region of existence of the metallic phase and the region of the transition from the metallic phase to the insulating phase. It has been shown that the low electrical conductivity of metallic V₃O₅ is caused, on the one hand, by a lower concentration of electrons and, on the other hand, by a strong electronelectron correlation whose role with decreasing temperature increases as the phase transition temperature is approached. The temperature dependence of the electrical conductivity of the insulating phase of V₃O₅ has been explained in the framework of the theory of hopping conduction, which takes into account the effect of thermal vibrations of atoms on the resonance integral.     

Magnetic,resonant, and thermal properties of Fe<Subscript>0.27</Subscript>Mn<Subscript>0.73</Subscript>S crystals

Fe_0.27Mn_0.73S single crystals were studied. A magnetic transition is detected near 197 K, which is accompanied by anomalies of the thermal, electrical, and resonant properties.     

Structural and magnetic properties of CeZnAl<Subscript>3</Subscript> single crystals

We have synthesized single crystals of CeZnAl₃, which is a new member of family of Ce-based intermetallics CeTX₃ (T=transition metal, X=Si, Ge, Al), crystallizing in the non-centrosymmetric tetragonal BaNiSn₃-type structure. Magnetization, specific heat and resistivity measurements all show that CeZnAl₃ orders magnetically below around 4.4 K. Furthermore, magnetization measurements exhibit a hysteresis loop at low temperatures and fields, indicating the presence of a ferromagnetic component in the magnetic state. This points to a different nature of the magnetism in CeZnAl₃ compared to the other isostructural CeTAl₃ compounds. Resistivity measurements under pressures up to 1.8 GPa show a moderate suppression of the ordering temperature with pressure, suggesting that measurements to higher pressures are required to look for quantum critical behavior.     

Raman spectra of TlGaSe<Subscript>2</Subscript> single crystals

The results of the study of the Raman spectrum of TlGaSe₂ single crystals are presented. The ability of these layered crystals to cleave into plates with mirror faces, being a consequence of significant asymmetry of the chemical bond, makes them promising materials for photoelectric converters.