Thermopower of <Emphasis Type="Italic">R</Emphasis>B<Subscript>12</Subscript> dodecaborides (<Emphasis Type="Italic">R</Emphasis> = Ho,Er, Tm,Lu)

Detailed measurements of the Seebeck coefficient S(T) in a broad range of temperatures (T = 2–300 K) have been performed for the first time for RB₁₂ dodecaborides (R = Ho, Er, Tm, Lu) in paramagnetic (diamagnetic for LuB₁₂) and antiferromagnetic states. At intermediate temperatures (10–300 K), the thermopower is determined by the interaction of carriers with phonon modes, which are related to the oscillations of rare-earth atoms in the framework of atomic clusters B₁₂. A comparative analysis of the parameters determining photon drag the thermopower related to the phonon drag and the results of galvanomagnetic measurements shows evidence for a significant effect of spin fluctuations on the behavior of charge transport characteristics in RB₁₂ compounds with strong electron correlations.     

Low-temperature thermal conductivity of tellurium-doped bismuth

Phonon thermal conductivities κ₂₂ (?T ‖ C1) and κ₃₃ (? T ‖ C₃) of tellurium-doped bismuth with an electron concentration in the range 1.8 × 10¹⁹ ≤ n_L ≤ 1.4 × 10²⁰ cm^?3 were studied in the temperature interval 2 < T < 300 K. The temperature dependence of the phonon thermal conductivity obtained on doped bismuth samples of both orientations exhibits two maxima, one at a low temperature and the other at a high temperature. The effect of various phonon relaxation mechanisms on the dependence of both phonon thermal conductivity maxima on temperature, impurity concentration, and electron density is studied.     

Heat capacity and thermopower coefficient of the carbon preform of sapele wood

This paper reports on measurements of the heat capacity at constant pressure C _p in the 80–300-K temperature interval and the thermopower coefficient S at 5–300 K of the carbon preform of sapele wood, which was prepared at the carbonization temperature of 1000°C. Measurements of C _p (T), our previous data on the phonon thermal conductivity, and literature information on the sound velocity have been used to calculate the phonon mean free path l(T) for this material. It has been shown that within the temperature interval 200–300 K, l is constant and equal to 11 Å, a figure matching the size of the nanocrystallites (“graphite fragments”) making up the carbon framework of the sapele carbon preform. The high-temperature parts of S(T) have been found to follow a linear course characteristic of diffusive thermopower for the degenerate state of charge carriers, with only one type of charge carriers present. The anisotropy of the thermopower coefficient has been estimated.     

Drag of ballistic electrons by an ion beam

Drag of electrons of a one-dimensional ballistic nanowire by a nearby one-dimensional beam of ions is considered. We assume that the ion beam is represented by an ensemble of heavy ions of the same velocity V. The ratio of the drag current to the primary current carried by the ion beam is calculated. The drag current turns out to be a nonmonotonic function of velocity V. It has a sharp maximum for V near v _nF/2, where n is the number of the uppermost electron miniband (channel) taking part in conduction and v _nF is the corresponding Fermi velocity. This means that the phenomenon of ion beam drag can be used for investigation of the electron spectra of ballistic nanostructures. We note that whereas observation of the Coulomb drag between two parallel quantum wires may in general be complicated by phenomena such as tunneling and phonon drag, the Coulomb drag of electrons of a one-dimensional ballistic nanowire by an ion beam is free of such spurious effects.     

Electron localization during an electronic-topological transition in Mo-Re alloys

Oscillations in the superconducting transition temperature ΔT _c (P), in the critical magnetic field ΔH _c (P), in the thermopower α / T (T ²), and in electrical resistivity ρ(T) (P is pressure) of Mo_1?x -Re _x alloys are observed at low temperatures against the background of specific features related to an electronic-topological transition (ETT) in these alloys. The oscillations are sensitive to the impurity concentration: they increase when the Re impurity concentration is close to the critical concentration C _c at which the ETT occurs. Oscillations are also detected in the concentration dependences of the temperature coefficient of resistivity (?ρ / ?T (C)) and the thermopower derivative (?(α/T) / ?T ² (C)) of Mo_1?x -Re _x alloys at low temperatures. The former and latter oscillations are shown to correlate with each other. These specific features are assumed to result from the ETT and to be related to the localization of the part of the electrons that fill a new cavity in the Fermi surface during this transition.     

Superconductivity in two-band systems with a variable carrier density: The case of MgB<Subscript>2</Subscript>

A theory of the thermodynamic properties of a two-band superconductor with a low carrier density is developed; it is based on a phonon superconductivity mechanism with a strong electron-phonon coupling. This theory can describe the variation of the critical temperature T _c, the energy gaps Δ₁ and Δ₂, and the relative electronic specific heat jump (C _S ? C _N)/C _N at T = T _c with the carrier density in the compound MgB₂ when substitutional impurities of various valences are introduced into this system. The values of T _c, Δ₁, and Δ₂ are shown to decrease as this compound is doped by electrons and to remain constant (or almost constant) as it is doped by holes. This behavior follows from the mechanism of filling the σ and π energy bands, which overlap at the Fermi surface. The theory agrees qualitatively with experimental data. This agreement is found to be better when intra-and interband electron scattering by an impurity potential is taken into account.     

Electron–phonon heat exchange in quasi-two-dimensional nanolayers

We study the heat power P transferred between electrons and phonons in thin metallic films deposited on free-standing dielectric membranes. The temperature range is typically below 1 K, such that the wavelengths of the excited phonon modes in the system is large enough so that the picture of a quasi-two-dimensional phonon gas is applicable. Moreover, due to the quantization of the components of the electron wavevectors perpendicular to the metal film’s surface, the electrons spectrum forms also quasi two-dimensional sub-bands, as in a quantum well (QW). We describe in detail the contribution to the electron–phonon energy exchange of different electron scattering channels, as well as of different types of phonon modes. We find that heat flux oscillates strongly with thickness of the film d while having a much smoother variation with temperature (T _e for the electrons temperature and T _ph for the phonons temperature), so that one obtains a ridge-like landscape in the two coordinates, (d, T _e ) or (d, T _ph ), with crests and valleys aligned roughly parallel to the temperature axis. For the valley regions we find P ∝ T _e ^3.5 – T _ph ^3.5 . From valley to crest, P increases by more than one order of magnitude and on the crests P cannot be represented by a simple power law. The strong dependence of P on d is indicative of the formation of the QW state and can be useful in controlling the heat transfer between electrons and crystal lattice in nano-electronic devices. Nevertheless, due to the small value of the Fermi wavelength in metals, the surface imperfections of the metallic films can reduce the magnitude of the oscillations of P vs. d, so this effect might be easier to observe experimentally in doped semiconductors.     

Mechanical and Dynamic Stability of Complete and Nonstoichiometric 3<Emphasis Type="Italic">C</Emphasis>-Si<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>C<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript> from Ab Initio Calculations

The energies of formation of vacancies in the carbon and silicon sublattices, the independent elastic constants, the all-round compression, shear and Young’s moduli, and the anisotropy coefficients are determined for the complete and nonstoichiometric cubic phases of 3C-Si_xC_y (x, y = 1.0–0.75) by ab initio methods of the band theory. In the formalism of the density functional perturbation theory (DFPT), the phonon dispersion dependences are obtained for these phases (the comparison with the experiment is given for the complete phase). It is shown that the mechanical characteristics of the phases become strongly anisotropic upon the transition from 3C-SiC_0.875 to 3C-SiC_0.75. It is established from the analysis of the phonon dispersion curves that the 3C-SiC_0.875 and 3C-SiC_0.75 phases, in contrast to the complete 3C-SiC phase, are dynamically unstable at T = 0 K.     

Structure and physical properties of titanium diselenide intercalated with nickel

The structure, electrical resistivity, thermopower, and magnetic susceptibility of titanium diselenide intercalated with nickel (N_xTiSe₂) are studied systematically in the nickel concentration range x=0–0.5. In accordance with a model proposed earlier, strong hybridization of the Ni3d/Ti3d states is observed, giving rise to suppression of the magnetic moment because of delocalization of the nickel d electrons. It is shown that the strain caused by the Ni3d/Ti3d hybridization does not change the local coordination of a titanium atom.     

The influence of magnetic and structural heterogeneity on thermopower,magnetothermopower, electrical resistivity,and magnetoresistivity of Nd<Subscript>0.5</Subscript>Sr<Subscript>0.5</Subscript>MnO<Subscript>3</Subscript> manganite

The thermopower, S, magnetothermopower, ΔS/S, resistivity, ρ, and magnetoresistivity, Δρ/ρ, depending on the temperature T and magnetic field H, have been studied in an Nd_0.5Sr_0.5MnO₃ single crystal consisting of three types of clusters: an antiferromagnetic CE-type with charge-orbital ordering (below the Neel temperature T_NCE ~ 145 K) and an A-type with T_NA ~ 220 K; a ferromagnetic at 234 ≤ T ≤ 252 K, and a ferromagnetic metal phase below the Curie temperature T_C = 248 K. The thermopower was found to be negative, indicating the dominance of the electronic type of conductivity. In the S(T) curves, a sharp minimum is observed in the temperature range of 100 K ≤ T ≤ 133 K, close to T_NCE, where the absolute S value attains 53 μV/K. With a further increase in temperature, the absolute S value decreases rapidly; at 200 K it is equal to 7 μV/K. It then slightly increases, reaching its maximum value of 15 μV/K at a temperature of 254 K, which is close to T_C. The absolute thermopower decreased under the influence of the magnetic field; i.e., a negative magnetothermopower occurs. In {ΔS/S}(T) curves, a sharp minimum is observed at T = 130 K close to T_NCE, where the magnetothermopower reaches a huge value of ~45% at H = 13.23 kOe. A broad minimum in the {ΔS/S}(T) curves is observed near the Curie temperature and its value is also high, viz., ~15% in the maximum measuring magnetic field of 13.23 kOe. The extremely high magnetothermopower values mean that the charge-orbital ordered nanoclusters or ferron type make the main contribution to the thermopower of the entire sample. The behavior of the ρ(T) and {Δρ/ρ}(T) curves is similar to that of the S(T) and {ΔS/S}(T) dependencies, which is in agreement with this conclusion.     

Kinetic Properties of the Mn<Subscript>1 – <Emphasis Type="Italic">x</Emphasis></Subscript>Gd<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Se Solid Solutions

The results of kinetic study of the Mn_{1 – x}Gd_xSe chalcogenide solid solutions with different substitute concentrations (0 ≤ x ≤ 0.15) in the temperature range of 80–400 K are reported. The difference between the Hall constant and thermopower signs has been found. The electron-type conductivity determined from the Hall constant and hysteresis of the I–V characteristics have been explained by the existence of nanoareas with local electric polarizations. The sharp extrema observed in the temperature dependence of thermopower are explained by splitting of a narrow 4f subband by the crystal field.     

Ultrasonic attenuation in insulating crystals

A theory for the dampingΓ of ultrasonic waves due to three-phonon processes is developed by using a Green's function method. The imaginary part of the self-energy of the impressed ultrasound phonons interacting with thermal phonons is calculated. In the limits ofω τ very large and very small the known results are rederived, whereω is the frequency of the ultrasonic wave andτ the thermal phonon relaxation time. The intermediate range ofω τ values is discussed in detail for the case of longitudinal phonon attenuation. It is found, that forω τ>1 a Landau-Rumer type law applies also for longitudinal phonons,Γ～ωT ⁴. But it is shown that dispersion effects and large third-order elastic anisotropy can lead to a stronger temperature dependence thanT ⁴ and a weaker dependence on frequency thanω. These results are compared with recent experiments.     

Ab initio study of the (2 × 2) phase of barium on graphene

We present a first-principles density functional theory study on the structural, electronic and dynamical properties of a novel barium doped graphene phase. Low energy electron diffraction of barium doped graphene presents clear evidence of (2 × 2) spots induced by barium adatoms with BaC₈ stoichiometry. First principles calculations reveals that the phase is thermodynamically stable but unstable to segregation towards the competitive BaC₆ monolayer phase. The calculation of phonon spectrum confirms the dynamical stability of the BaC₈ phase indicating its metastability, probably stabilized by doping and strain conditions due to the substrate. Barium induces a relevant doping of the graphene π states and new barium-derived hole Fermi surface at the M-point of the (2 × 2) Brillouin zone. In view of possible superconducting phase induced by foreign dopants in graphene, we studied the electron–phonon coupling of this novel (2 × 2) obtaining λ = 0.26, which excludes the stabilization of a superconducting phase.     

Magnetic polarons,clusters, and their effect on the electric properties of weakly doped lanthanum manganites

The resistivity, magnetoresistance, thermopower, and magnetic susceptibility of La_1?xA_xMnO₃(A≡Ca,Sr;x=0.07–0.1) single crystals are investigated in the temperature range from 77 to 400 K. Sharp changes in the properties (the resistivity activation energy ΔEρ, its temperature coefficient γ, the thermopower activation energy ΔE _S , the magnetoresistance, and the appearance of spontaneous magnetization) of these crystals occur near a temperature of 275±25 K, which is approximately twice as high as their Curie point T_C and approximately half of the structural transition temperature. The results are explained by the phase separation: the formation of ferromagnetic clusters. The phase separation occurs through the coalescence of small-radius unsaturated magnetic polarons, in which only two or three magnetic moments of Mn are polarized, into a large-radius ferromagnetic polaron (a cluster about 10–12 Å in size) with several charge carriers. As a result, the short-range order occurs in the cluster at a temperature of about 275 K, which is close to T _C of conducting doped manganites. The results of the experimental studies of the resistivity and the magnetoresistance as functions of temperature and magnetic field and the estimates agree well with the cluster model.     

Theoretical calculations on structural and electronic properties of BGaAsBi alloys

The structural and electronic properties of cubic B _x Ga_1?x As_1?y Bi _y alloys with bismuth (Bi) concentration of 0.0625, 0.125, 0.1875 and 0.25 are studied with various boron (B) compositions by means of density functional theory (DFT) within the Wu-Cohen (WC) exchange correlation potential based on generalized gradient approximation (GGA). For all studied alloy structures, we have implemented geometric optimization before the volume optimization calculations. The obtained equilibrium lattice constants and band gap of studied quaternary alloys are investigated for the first time in literature. While the lattice constant behavior changes linearly with boron concentration, increasing small amount of bismuth concentration alter the lattice constant nonlinearly. The present calculation shows that the band gap decreases with increasing bismuth concentration and direct band gap semiconductor alloy became an indirect band gap with increasing boron concentration. From the band offset calculation we have shown that increasing B and Bi concentration in host GaAs reduced the valance band offset in a heterostructure formed by GaAs and studied alloys.     

A criticism of the standard treatment of phonon drag

By the study of a simple example, namely the evolution in timet of an electron-phonon system with fixed, total momentum, it is shown that the “standard” treatment of “phonon drag”, which involves solving the (linearized and spatially homogeneous) coupled electron and phonon Boltzmann equations by an iteration procedure, is not always correct. In the asymptotic limit (t→∞), the iteration or “standard” procedure does not give the “correct” (i.e. the equilibrium statistical mechanical) result for the distribution of momentum between electrons and phonons. However, a proper treatment of the Boltzmann equations does lead to the “correct” sharing of momentum between electrons and phonons fort→∞. All the calculations in this paper are performed for metals at high temperatures (i.e.,T>Θ_D, the Debye temperature).     

Anomalous thermopower in heavy-fermion compounds CeB<Subscript>6</Subscript>, CeAl<Subscript>3</Subscript>, and CeCu<Subscript>6 − <Emphasis Type="Italic">x</Emphasis></Subscript>Au<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>

High-precision measurements of thermopower have been performed in a wide temperature range (2–300 K) for a series of cerium-based heavy-fermion compounds, including CeB₆, CeAl₃, CeCu₆, and substitutional solid solutions of the CeCu_{6 ? x} Au _x system (x = 0.1, 0.2). All compounds exhibit an unusual (logarithmic) asymptotic behavior of the temperature dependence of the Seebeck coefficient: S ∝ ?lnT. In the case of cerium hexaboride, this anomalous behavior of S(T) is accompanied by the appearance of weak-carrier-localization-mode asymptotics in the conductivity (σ(T) ∝ T ^0.39), while the paramagnetic susceptibility χ(T) and the effective mass of charge carriers m _eff(T) vary according to a power law (χ(T), m _eff(T) ∝ T ^?0.8) in the temperature interval T = 10–80 K. This behavior corresponds to renormalization of the density of states at the Fermi level. The observed anomalous behavior of thermopower in CeB₆ and other cerium-based intermetallic compounds is attributed to the formation of heavy fermions (many-body states in the metal matrix) at low temperatures.     

Electrical conductivity and thermopower in Co<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> Mn<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript> S sulfides

This paper reports on the results of investigations into the structural, electrical, and thermoelectrical properties of sulfides Co _x Mn_{1 ? x} S (0 ≤ x ≤ 0.4) in the temperature range 80–950 K. It is established that the thermopower coefficient α decreases significantly with an increase in the cobalt concentration in the lattice of the α-MnS compound. The Co _x Mn_{1 ? x} S compounds with cobalt concentrations in the range 0 ≤ x ≤ 0.3 are semiconductors with hole conduction (α > 0), whereas the compound with x = 0.4 exhibits metallic conduction (α < 0). It is found that the band gap E _g of the compounds under investigation varies in the range from 1.46 eV for α-MnS (x = 0) to 0.26 eV for Co _x Mn_{1 ? x} S (x = 0.4).     

Surface morphology and Raman spectroscopy of thin layers of antimony and bismuth chalcogenides

The phonon spectra in thin layers of bismuth telluride and solid solutions of Bi_2–xSb_xTe_3–ySe_y of different composition, belonging to three-dimensional topological insulators, have been investigated by micro-Raman spectroscopy, and the morphology of an interlayer van der Waals (0001) surface in them has been studied by semicontact atomic force microscopy at room temperature. The analysis of the Raman spectra and the intensity ratio of active and inactive longitudinal optical modes depending on the composition, morphology of the interlayer surface, and thickness of the layers enabled the estimation of the effect of topological surface states of Dirac fermions, associated with the strengthening of the electron–phonon interaction as a result of resonance Raman scattering, and the identification of the compositions, in which the contribution of topological surface states becomes dominant.     

Phase separation and anisotropy in the electrical properties of weakly doped lanthanum manganites

Variations in the thermopower, electrical resistivity, magnetoresistance, thermal expansion coefficients, and their anisotropy with temperature were detected near room temperature in single crystals of weakly doped lanthanum manganites La_1?xA_xMnO₃ (A = Ca, Sr; x = 0.07–0.125) with orthorhombic structure. The results obtained are discussed in terms of a model of phase separation related to polaron anisotropy. Due to a gain in exchange and elastic energies in the lattice, small-radius magnetic polarons can merge to form polarons of a larger size, which would contain now not one but rather a few electrons (equal in number to the polarons in the cluster). As a result, short-range order in a cluster and phase separation set in at a temperature T_ps ≈ 250–300 K, which is approximately equal to the Curie temperature T_C of conducting manganites with x ≈ 0.2–0.3.