Electronic structure of α-Al<Subscript>2</Subscript>O<Subscript>3</Subscript>: Ab initio simulations and comparison with experiment

Al₂O₃ films 150 Å thick are deposited on silicon by the ALD technique, and their x-ray (XPS) and ultraviolet (UPS) photoelectron spectra of the valence band are investigated. The electronic band structure of corundum (α-Al₂O₃) is calculated by the ab initio density functional method and compared with experimental results. The α-Al₂O₃ valence band consists of two subbands separated with an ionic gap. The lower band is mainly formed by oxygen 2s states. The upper band is formed by oxygen 2p states with a contribution of aluminum 3s and 3p states. A strong anisotropy of the effective mass is observed for holes: m _h⊥ ^* ≈ 6.3m ₀ and m _h‖ ^* ≈ 0.36m ₀. The effective electron mass is independent of the direction m _e‖ ^* ≈ m _e⊥ ^* ≈ 0.4m ₀.     

Intersubband cyclotron resonance of holes in strained Ge/GeSi(111) heterostructures with germanium wide quantum wells and cyclotron resonance of 1<Emphasis Type="Italic">L</Emphasis> electrons in GeSi layers

The submillimeter (?ω=0.5–5 meV) magnetoabsorption spectra of strained Ge/Ge_1?xSi_x(111) multilayer heterostructures with thick Ge layers (d_Ge=300–850 Å, d_GeSi≈200 Å, x≈0.1) are investigated at T=4.2 K upon band-gap optical excitation. It is revealed that the absorption spectra contain cyclotron resonance lines of 1L electrons localized in GeSi solid solution layers (unlike the previously studied structures with thin Ge layers as quantum wells for 3L electrons). The absorption spectra of the samples with thick Ge layers (d_Ge=800–850 Å) exhibit cyclotron resonance lines of holes due to transitions from the lower Landau levels in the first quantum-well subband to the Landau levels belonging to the third and fifth higher subbands.     

Energy spectrum of holes in Sb<Subscript>2</Subscript>Te<Subscript>2.9</Subscript>Se<Subscript>0.1</Subscript> solid solution according to the data on the transfer phenomena

The temperature dependence of the Hall coefficient of a single crystal of the p-Sb₂Te_2.9Se_0.1 solid solution grown by the Czochralski technique is studied in the temperature range 77–450 K. The data on the Hall coefficient of the p-Sb₂Te_2.9Se_0.1 are analyzed in combination with the data on the Seebeck and Nernst–Ettingshausen effects and the electrical conductivity with allowance for interband scattering. From an analysis of the temperature dependences of the four kinetic coefficients, it follows that, at T < 200 K, the experimental data are qualitatively and quantitatively described in terms of the one-band model. At higher temperatures, a complex structure of the valence band and the participation of the second-kind additional carriers (heavy holes) in the kinetic phenomena should be taken into account. It is shown that the calculations of the temperature dependences of the Seebeck and Hall coefficients performed in the two-band model agree with the experimental data with inclusion of the interband scattering when using the following parameters: effective masses of the density of states of light holes m_d1^*≈ 0.5m₀ (m₀ is the free electron mass) and heavy holes m_d2^*≈ 1.4m₀, the energy gap between the main and the additional extremes of the valence band ΔE_v ≈ 0.14 eV that is weakly dependent on temperature.     

The Effect of the Heavy-Hole Band on the Thermoelectric Figure-of-Merit of Heavily Doped p-Type Lead Telluride

The thermoelectric properties of heavily doped p-type PbTe have been theoretically studied in the temperature range from 300 to 900 K. The calculations are based on a three-band model of the PbTe electron energy spectrum taking into account the transport of electrons and light holes in the L-extrema and heavy holes in the Σ-extrema. The thermoelectric quantities turned out to be very sensitive to the parameters of the heavy-hole band. The best agreement with the experiment is reached at m_hh = 5m₀ and E_gΣ = 0.5 eV, where all calculated thermoelectric quantities agree well with the available experimental data within the entire interval from 300 to 900 K. The calculation confirms a significant increase of the value of the thermoelectric figure-of-merit to ZT = 1.2 that has been recently observed experimentally in heavily doped p-PbTe samples. The maximum of ZT corresponds to the temperature at which the band edges of light and heavy holes coincide in energy so that the steepest singularity in the density of states in the valence band is formed.     

The effect of non-linear capacitances in the localization properties of aperiodic dual electric transmission lines

This study investigates the localization properties of dual electric transmission lines with non-linear capacitances. The V_C,n voltage across each capacitor is selected as a non-linear function of the electric charge q_n, i.e., V_C,n = q_n(1/C_n -ε_n|q_n|²)where C_n is the linear part of the capacitance and ε_n the amplitude of the non-linear term. We follow a binary distribution of values of ε_n, according to the Thue-Morse m-tupling sequence. The localization behavior of this non-linear case indicates that the case m = 2 does not belong to the m ≥ 3, family because when m changes from m = 2 to m = 3, the number of extended states diminishes dramatically. This proves the topological difference of the m = 2 and m = 3 families. However, by increasing m values, localization behavior of the m-tupling family resembles that of the m = 2, case because the system begins to regain its extended states. The exact same result was obtained recently in the study of linear direct transmission lines with m-tupling distribution of inductances. Consequently, we state that the localization behavior of the m-tupling family as a function of the m value is independent of both the linear and the non-linear system under study, but independent of the kind of transmission line (dual or direct). This is curious behavior of the m-tupling family and thus deserves more scholarly attention.     

Equilibrium and stability of the charged particles’ fluxes drifting crosswise to the strong magnetic field at the expense of the Hall charge separation

The current equilibrium is investigated, where the generation of the Hall electric field on the magnetic Debye radius r _B = B ₀/(4πen _e) is considered by the drifting of the relativistic electrons crosswise to the strong magnetic field. In this case, the electron propagation is possible at the distance d that is essentially larger than the electron radius of the backward reflection in the magnetic field r ₀ ? m _e v _z c/(eB ₀). The instability of the joint drift motion of ions and electrons is investigated for the frequency oscillation w much higher than the ion cyclotron frequency w _Bi and by 4π n _i m _i c ² ? B ₀ ² and (k · B ₀) = 0. It is shown that the resonance effects by the ion beam’s plasma frequency w ? kv ₀ = w _pi leads to the generation of the nonpotential perturbations with the characteristic increment Imw ～ 10^?1 ÷ 10^{? 2} w _pi. Estimates show that the instability, associated with the propagation of the high-energy ion beam through the strong magnetic field, can essentially be like the edge-localized mode in tokamaks.     

Thermoelectric effect in the Kondo dot side-coupled to a Majorana mode

We investigate the linear thermoelectric response of an interacting quantum dot side-coupled by one of two Majorana modes hosted by a topological superconducting wire. We employ the numerical renormalization group technique to obtain the thermoelectrical conductance L in the Kondo regime while the background temperature T, the Majorana-dot coupling Γ _m , and the overlap ε _m between the two Majorana modes are tuned. We distinguish two transport regimes in which L displays different features: the weak- (Γ _m <T _K ) and strong-coupling (Γ _m >T _K ) regimes, where T _K is the Kondo temperature. For an infinitely long nanowire where the Majorana modes do not overlap (ε _m = 0), the thermoelectrical conductance in the weak-coupling regime exhibits a peak at T ~ Γ _m <T _K . This peak is ascribed to the anti-Fano resonance between the asymmetric Kondo resonance and the zero-energy Majorana bound state. In the strong-coupling regime, on the other hand, the Kondo-induced peak in L is affected by the induced Zeeman splitting in the dot. For finite but small overlap (0 <ε _m <Γ _m ), the interference between the two Majorana modes restores the Kondo effect in a smaller energy scale Γ′ _m and gives rise to an additional peak in Γ ~ Γ′ _m, whose sign is opposite to that at T ~ Γ _m . In the strong-coupling regime this additional peak can cause a non-monotonic behavior of L with respect to the dot gate. Finally, in order to identify the fingerprint of Majorana physics, we compare the Majorana case with its counterpart in which the Majorana bound states are replaced by a (spin-polarized) ordinary bound state and find that the thermoelectric features for finite ε _m are the genuine effect of the Majorana physics.     

Scattering the Geometry of Weighted Graphs

Given two weighted graphs (X, b_k, m_k), k =?1,2 with b₁ ～ b₂ and m₁ ～ m₂, we prove a weighted L¹-criterion for the existence and completeness of the wave operators W_±(H₂, H₁, I_1,2), where H_k denotes the natural Laplacian in ?²(X, m_k) w.r.t. (X, b_k, m_k) and I_1,2 the trivial identification of ?²(X, m₁) with ?²(X, m₂). In particular, this entails a general criterion for the absolutely continuous spectra of H₁ and H₂ to be equal.     

On the size dependence of melting parameters for silicon

Using the dependences of melting point T_m and crystallization point T_c on the number of atoms (N) in a spherical silicon crystal that were calculated elsewhere [6] by the method of molecular dynamics, (i) the number of atoms at which the latent heat of the solid–liquid phase transition disappears and (ii) temperature T₀ = T_m(N₀) = _Tc(N₀) below which solidifying nanoclusters remain noncrystalline are estimated. These values are found to be N₀ = 22.8156 and T₀ = 400.851 K. The N dependences for silicon melting parameters, namely, a jump of entropy of melting, latent melting heat, slope of the melting line, and jumps in the surface energy and volume, are derived.     

Influence of the dimension of a polycrystalline film and the optical anisotropy of crystallites on the effective dielectric constant of the film

The dimension D of a polycrystalline film and the optical anisotropy m = ε_z/ε_x of uniaxial crystallites with the principal components ε_x = ε_y and ε_z of the tensor of the dielectric constant have been shown to produce a strong influence on the effective dielectric constant ε_D^* and the effective refractive index n_D^* = (ε_D^*)^1/2 of the film in the optical transparency region, as well as on the boundaries of the intervals B_Dl ≤ ε_D^* ≤ B_Du. The intervals Δ₂(m) = B_2l–B_2u and Δ₃(m) = B_3l–B_3u are separated by a gap for m in the range 1 < m < 2, whereas the theoretical dependence ε₂^*(m) is separated by a gap from the interval Δ₃(m) for m in the range 1 < m < 4. This is confirmed by a comparison of the experimental (n_oP) and theoretical (n_D^*) ordinary refractive indices for uniaxial polycrystalline films of the conjugated polymer poly(p-phenylene vinylene) (PPV) with uniaxial crystallites and appropriate values of m. In the visible transparency region of the PPV films with a change in m(λ) in the range 2 < m(λ) < 3 due to the dependence of the components ε_x,z(λ) on the light wavelength λ, the refractive indices n_oP²(λ) = ε_oP(λ) are consistent with the theoretical values of ε₂^*(λ) and lie outside the interval Δ₃(m). For m(λ) > 3 near the electronic absorption band of the crystallites, the values of ε_oP(λ) lie in the region of the overlap of the intervals Δ₂(m) and Δ₃(m). The boundaries mc of the range 1 < m < m_c are determined, for which the interval Δ₂(m) is separated by a gap from the dependences ε₃^*(m) corresponding to the effective medium theory with spherical crystallites and hierarchical models of a polycrystal, as well as from the proposed new dependence ε₃^*(m).     

Dominant decays of scalar leptoquarks and scalar gluons in the minimal four-color symmetry model

Fermionic and weak decays of the scalar leptoquarks S = S ₁ ⁽⁺⁾ , S ₁ ^(?) , and S _m and the scalar gluons F = F ₁ and F ₂ predicted by the minimal model involving four-color symmetry and the Higgs mechanism of quark-and lepton-mass splitting are considered. The widths and the branching ratios are calculated for these decays, and the results are analyzed versus the couplings and masses of decaying particles. It is shown that, at relatively small mass splittings Δm within scalar doublets (Δm < m _W), the fermionic decays S ₁ ⁽⁺⁾ → tl _j ⁺ , S ₁ ^(?) → v _i \(\tilde b\), S _m → t \(\tilde \nu \) _j, F ₁ → t \(\tilde b\), and F ₂ → t \(\tilde t\), which are characterized by few-GeV widths for m _S, m _F < 1 TeV and decay branching ratios close to unity, are dominant, but that, for Δm > m _W, the weak decays S → S′W and F → F’W compete with the above fermionic decays. In the case of m _S < m _t, the processes S ₁ ⁽⁺⁾ → cl _j ⁺ , S ₁ ^(?) → v _i \(\tilde b\), S _m → bl _j ⁺ , and S _m → c \(\tilde \nu \) _j, whose total branching ratios are Br(S ₁ ⁽⁺⁾ → cl ⁺) ≈ Br(S ₁ ^(?) → v \(\tilde b\)) ≈ 1, Br(S _m → bl ⁺) ≈ 0.9, and Br(S _m → c \(\tilde \nu \)) ≈ 0.1, appear to be dominant decays of scalar leptoquarks. Searches for these decays at LHC and the Tevatron are of interest.     

Chiral and deconfinement phase transitions in QED<Subscript>3</Subscript> with finite gauge boson mass

Based on the experimental observation that there is a coexisting region between the antiferromagnetic (AF) and d-wave superconducting (dSC) phases, the influences of gauge boson mass m _a on chiral symmetry restoration and deconfinement phase transitions in QED₃ are investigated simultaneously within a unified framework, i.e., Dyson–Schwinger equations. The results show that the chiral symmetry restoration phase transition in the presence of the gauge boson mass m _a is a typical second-order phase transition; the chiral symmetry restoration and deconfinement phase transitions are coincident; the critical number of fermion flavors N ^c _f decreases as the gauge boson mass m _a increases, which implies that there exists a boundary that separates the N ^c _f –m _a plane into chiral symmetry breaking/confinement region for (N ^c _f , m _a ) below the boundary and chiral symmetry restoration/deconfinement region for (N ^c _f , m _a ) above it.     

Spin-selective low temperature spectroscopy on single molecules with a triplet-triplet optical transition: Application to the NV defect center in diamond

The spin-selective photokinetics of a single matrix-isolated impurity molecule with a triplet-triplet optical transition, T ₀–T ₁, is considered and the manifestations of the photokinetics in the fluorescence excitation spectra and intensity autocorrelation functions g ⁽²⁾(τ) of the molecule undergoing narrow-band optical excitation is studied to resolve the fine structure of the transition. The rates of intersystem crossings (ISCs) T ₁→S→T ₀ to and from a nonradiating singlet state S of the molecule and the rate of population relaxation among the ground (T ₀) state sublevels can be obtained from the spectra and g ⁽²⁾(τ) using the analytical expressions obtained. New experiments on an individual NV defect center in nanocrystals of diamond, where, for the first time, the fine structure of its triplet-triplet ³ A-³ E zero-phonon optical transition (~637 nm) at 1.4 K was resolved, are interpreted. It is concluded that the rate of the ISC transition from the m _S =0 sublevel of the excited ³ E state to the singlet ¹ A state (~1 kHz) is much slower than the rates from the m _S =±1 substates, while the rates of ISC transitions to different m _S substates of the ground ³ A state are close to each other (~1 Hz). As a result, only the optical transition between m _S =0 sublevels in the ³ A-³ E manifold contributes strongly to the fluorescence. The experimentally observed double-exponential decay of the g ⁽²⁾(τ) function is explained by the two pathways available to the center for it to leave the S state: (i) the S→ T ₀(m _S )=0) transition and (ii) the S→T ⁰(m _S =±1) transitions followed by the slow spin-lattice relaxation T ₀(m _S =±1)→T ₀(m _S =0) (rate ~0.1 Hz). The work is important for studies where the NV center is used as a single photon source or for quantum information processing.     

Interaction of nitrogen dioxide molecules with the surface of silicon nanocrystals in porous silicon layers

The methods of infrared absorption spectroscopy and electron paramagnetic resonance are used for studying the effect of adsorption of NO₂ molecules, which are strong acceptors of electrons, on the electronic and optical properties of silicon nanocrystals in mesoporous silicon layers. It is found that the concentration of free charge carriers (holes) in silicon nanocrystals, which exhibits a nonmonotonic dependence on the NO₂ pressure, sharply increases in the presence of these molecules. At the same time, a monotonic increase in the concentration of dangling silicon bonds (P_b1 centers) is observed. A microscopic model proposed for explaining this effect presumes the formation of donor-acceptor pairs P ₊ ^b1 -(NO₂)^? on the surface of nanocrystals, which ensure an increase in the hole concentration in nanocrystals, as well as P_b1 centers, which are hole-trapping centers. The proposed model successfully explains a substantial increase in photoconductivity (by two or three orders of magnitude) in the layers of porous silicon in the presence of NO₂ molecules; the increment in the concentration of free charge carriers is detected within an order of magnitude of this quantity. The results can be used in designing electronic and luminescence devices based on silicon nanocrystals.     

Fine Structure of Beta Decay Strength Function and Anisotropy of Isovector Nuclear Dencity Component Oscillations in Deformed Nuclei

The experimental measurement data on the fine structure of beta-decay strength function S_β(E) in spherical, transitional, and deformed nuclei are analyzed. Modern high-resolution nuclear spectroscopy methods made it possible to identify the splitting of peaks in S_β(E) for deformed nuclei. By analogy with splitting of the peak of E1 giant dipole resonance (GDR) in deformed nuclei, the peaks in S_β(E) are split into two components from the axial nuclear deformation. In this report, the fine structure of S_β(E) is discussed. Splitting of the peaks connected with the oscillations of neutrons against protons (E1GDR), of proton holes against neutrons (peaks in S_β(E) of β⁺/EC-decay), and of protons against neutron holes (peaks in S_β(E) of β^–-decay) is discussed.     

Polarisationseffekte in der Hyperfeinstruktur von65Cu I, 3d 94s 2 m 2 D

The hyperfinestructure of the transition⁶⁵CuI, 3d ¹⁰4p ² P _3/2—3d ⁹4s ² m ² D _5/2 was investigated by optical interferometric methods. For the hfs-factors the following values were found:A(⁶⁵Cu,m ² D _5/2)=26,79(3) mK andB(⁶⁵Cu,m ² D _5/2)=5,81(10) mK. The core polarization of them ² D-terms and the Sternheimer corrections in the calculation of the quadrupolmoment of copper 65 from theB-factors of the terms 3d ⁹ 4s² m ² D and 3d ¹⁰ 4p ² P _3/2. were discussed.     

Rigidity and Non-local Connectivity of Julia Sets of Some Quadratic Polynomials

For an infinitely renormalizable quadratic map \({f_c: z\mapsto z^2+c}\) with the sequence of renormalization periods {k _m } and rotation numbers {t _m  = p _m /q _m }, we prove that if \({\limsup k_m^{-1} \log |p_m| >0 }\), then the Mandelbrot set is locally connected at c. We prove also that if \({\limsup |t_{m+1}|^{1/q_m} <1 }\) and q _m → ∞, then the Julia set of f _c is not locally connected and the Mandelbrot set is locally connected at c provided that all the renormalizations are non-primitive (satellite). This quantifies a construction of A. Douady and J. Hubbard, and weakens a condition proposed by J. Milnor.     

Renormalization of the Effective Electron Mass Governing the Period of Microwave-Induced Resistance Oscillations in ZnO/MgZnO Heterojunctions

The phenomenon of microwave-induced magnetoresistance oscillations is studied in a series of ZnO/MgZnO heterojunctions characterized by different two-dimensional electron densities n. It is found that the effective electron mass m* determined from the period of microwave-induced magnetoresistance oscillations depends essentially on this parameter. For high densities, the value of m* tends to the effective electron mass in bulk ZnO, while for low densities, m* increases pronouncedly and becomes considerably larger than the electron cyclotron mass. The experimental results give clear evidence of a significant impact of the electron–electron interaction on microwave-induced magnetoresistance oscillations.     

Superposition of M<Subscript>5</Subscript>X<Subscript>5</Subscript> superstructures and X-ray diffraction in TiO<Subscript>1.0</Subscript> titanium monoxide

The interpretation of diffraction spectra of ordered high-temperature phases of solid solutions and strongly nonstoichiometric compounds is discussed. It has been shown that variations of the intensities of superstructure reflections, which cannot be explained within simple ordering models, can be due to the superposition of superstructures with different symmetries in the matrix of the basis crystal structure. Using an example of atom–vacancy ordering in TiO_1.0 titanium monoxide, a model of the order–order transition state formed by the superposition of low-temperature monoclinic (space group A2/m (C2/m)) and high-temperature cubic (space group Pm3?m) M₅X₅ superstructures has been proposed. It has been shown that the transition state is thermodynamically equilibrium and should be implemented instead of the M₅X₅ cubic superstructure. The transition state model can be considered as an M_(5–i)X_(5–i) superstructure (i = 1, 14/18, 11/18) with the monoclinic symmetry (space group P1m1).     

Energy band structure and X-ray spectra of phenakite Be<Subscript>2</Subscript>SiO<Subscript>4</Subscript>

The electronic structure of crystalline phenakite Be₂SiO₄ is investigated using x-ray emission spectroscopy (XES) (Be K _α XES, Si L _{2, 3} XES, O K _α XES) and x-ray absorption spectroscopy (XAS) (Be 1s XAS, Si 2p XAS, O 1s XAS). The energy band structure is calculated by the ab initio full-potential linearized augmented-plane-wave (FLAPW) method. The total and partial densities of states and the dispersion curves for the Be₂SiO₄ compound are presented. It is shown that the top of the valence band and the bottom of the conduction band of the Be₂SiO₄ compound are predominantly formed by the oxygen 2p states. According to the results obtained, the electron transition with the lowest energy supposedly can occur at the center of the Brillouin zone. The effective masses of electrons (0.5m _e ) and holes (3.0m _e ) for the Be₂SiO₄) compound are estimated.