Appearance of resonant Γ-X mixing in gradient GaAs/AlAs short-period superlattices

We have experimentally investigated the low-temperature (10 K) luminescence and reflection spectra of a gradient GaAs/AlAs superlattice. We have examined the behavior of phonon satellites in the vicinity of the X-Γ resonance. Smooth passage through the resonance was achieved by scanning an exciting light beam along the surface of a gradient sample. Based on our experimental results, we have determined the functional dependence of the Γ-X mixing potential on the resonance detuning. Fiz. Tverd. Tela (St. Petersburg) 40, 822–823 (May 1998)     

Model of isostructural dynamical phase transition in anharmonic crystal with possible relevance to SrTiO3

A new type of phase transition is discussed which corresponds to a pairing of phonons of different lattice modes due to their anharmonic attraction in a crystal. It is shown that the main features of the isostructural phase transition observed in SrTiO₃ at T≃37 K can be explained qualitatively by the phonon pairing phenomenon. Pis’ma Zh. éksp. Teor. Fiz. 67, No. 6, 399–404 (25 March 1998)     

First-principles calculation of the phonon frequencies in γ Fe

The total energy, the equilibrium lattice constant, and the bulk modulus of the fcc phase of iron have been calculated by the full-potential LMTO method. The use of a generalized gradient approximation in the calculation of the electronic structure and lattice properties of γ-Fe is discussed. Next, the transverse phonon frequency at the W point of the Brillouin zone of a fcc lattice is calculated by the “frozen-phonon” method in the harmonic approximation. A local minimum has been found in the curve of the variation of the total energy of the system as a function of the amplitude of the atomic displacements corresponding to the chosen normal mode. To take account of anharmonic effects, a pseudoharmonic approximation is used and an effective potential that approximates the curve of the variation of the total energy of the system and depends on the temperature via the correlation function of the mean-square displacement of atoms from their equilibrium positions is constructed. The theoretical temperature dependence of the effective frequency of the phonon mode responsible for the structural phase transition corresponds qualitatively to the experimentally observed dependence. A new interpretation is given for the structural phase transition as a transition of the corresponding phonon mode from the excited to the ground state. Fiz. Tverd. Tela (St. Petersburg) 39, 171–175 (January 1997)     

What can we learn from the decay of NX(1625) in the molecule picture?

Considering two assumptions on the molecular state, i.e. the S-wave Λ̄–K^- and S-wave Σ̄⁰–K^- molecular states, we study the possible decays of N̄_X(1625) that include N̄_X(1625)→K^-Λ̄,π⁰p̄,ηp̄,π^-n̄. Our results indicate that (1) if N̄_X(1625) is the Λ̄–K^- molecular state, K^-Λ̄ is the main decay mode of N̄_X(1625), and the branching ratios of the rest decay modes are tiny; (2) if N̄_X(1625) is the Σ̄⁰–K^- molecular state, the branching ratio of N̄_X(1625)→K^-Λ̄ is one or two orders smaller than that of N̄_X(1625)→π⁰p̄,ηp̄,π^-n̄. Thus the search for N̄_X(1625)→π⁰p̄,ηp̄,π^-n̄ will be helpful to shed light on the nature of N̄_X(1625). PACS 13.30.Eg, 13.75.Jz     

Ultrafast vibronic phase transitions induced in semiconductors by femtosecond laser pulses

The intermode anharmonic interaction in the theory of ultrafast (t∼10⁻¹³ s) vibronic phase transitions induced on semiconductor surfaces (Si, GaAs) by femtosecond laser pulses is calculated. The conditions for plasma-induced transitions either to a state of chaotic disorder in the positions of the atoms (“cold liquid”) or into a state with crystal symmetry different from the initial symmetry (a new crystalline phase) are determined. It is shown that a NaCl-type structure is realized in GaAs for a transition of the second type, the transition being due to the instability of the longitudinal optical phonon branch. The corresponding numerical estimates are made for Si and GaAs. Fiz. Tverd. Tela (St. Petersburg) 41, 1462–1466 (August 1999)     

Lattice mechanical properties of noble and transition metals

A model pseudopotential depending on an effective core radius but otherwise parameter free is used to study the interatomic interactions, phonon dispersion curves (inq and r-space analysis), phonon density of states, mode Grüneisen parameters, dynamical elastic constants (C ₁₁,C ₁₂ andC ₄₄), bulk modulus (B), shear modulus (C′), deviation from Cauchy relation (C ₁₂–C ₄₄), Poisson’s ratio (σ), Young’s modulus (Y), behavior of phonon frequencies in the elastic limit independent of the direction (Y ₁), limiting value in the [110] direction (Y ₂), degree of elastic anisotropy (A), maximum frequencyω _max, mean frequency 〈ω〉, 〈ω ²〉^1/2=(〈ω〉/〈ω ⁻¹〉)^1/2, fundamental frequency 〈ω ²〉, and propagation velocities of the elastic constants in Cu, Ag, Au, Ni, Pd, and Pt. The contribution of s-like electrons is calculated in the second-order perturbation theory for the model potential while that of d-like electrons is taken into account by introducing repulsive short-range Born-Mayer like term. Very recently proposed screening function due to Sarkar et al. has been used to obtain the screened form factor. The theoretical results are compared with experimental findings wherever possible. A good agreement between theoretical investigations and experimental findings has proved the ability of our model potential for predicting a large number of physical properties of transition metals.     

Nonadiabatic effects in the phonon spectra of superconductors

The nonadiabatic corrections to the self-energy part Σ_s(q, ω) of the phonon Green’s function are studied for various values of the phonon vectors q resulting from electron-phonon interactions. It is shown that the long-range electron-electron Coulomb interaction has no direct influence on these effects, aside from a possible renormalization of the corresponding constants. The electronic response functions and Σ_s(q, ω) are calculated for arbitrary vectors qand energy ω in the BCS approximation. The results obtained for q=0 agree with previously obtained results. It is shown that for large wave numbers q, vertex corrections are negligible and Σ_s(q, ω) possesses a logarithmic singularity at ω=2Δ, where Δ is the superconducting gap. It is also shown that in systems with nesting, Σ_s(Q, ω) (where Q is the nesting vector) possesses a square-root singularity at ω=2Δ, i.e., exactly of the same type as at q=0. The results are used to explain the recently published experimental data on phonon anomalies, observed in nickel borocarbides in the superconducting state, at large q. It is shown, specifically, that in these systems nesting must be taken into account in order to account for the emergence of a narrow additional line in the phonon spectral function S(q, ω)≈−π ⁻¹ Im D _s (q, ω), where D _s (q, ω) is the phonon Green’s function, at temperatures T<T _c . Zh. éksp. Teor. Fiz. 115, 1799–1817 (May 1999)     

Effect of impurities on thermoelectric power due to phonon drag in metals

The effect of inelastic impurity scattering of electrons on the thermoelectric power due to phonon drag in metals has been studied. It is shown that this is the main cause of the thermoelectric power suppression due to doping at low temperatures. The thermoelectric power in a metal with a quadratic electron spectrum has been calculated as a function of temperature and impurity concentration. In addition to the impurity concentration, the correction to the thermoelectric power due to inelastic scattering contains the large factor Θ_D/T. Zh. éksp. Teor. Fiz. 111, 2237–2242 (June 1997)     

Amorphization and shear microbands near grain boundaries in mechanically alloyed metallic materials

A theoretical model which effectively describes a novel micromechanism of solid-state amorphization in mechanically alloyed metallic materials is proposed. Within the model the amorphous phase nucleates as a result of the intersection of a grain boundary by a plastic-shear microband. It is shown that the growth of a nucleus of the amorphous α-β alloy near a site on a grain boundary intersected by a shear microband is effectively controlled by the rate of diffusion mixing of atoms of the mechanically alloyed metals α and β. Zh. Tekh. Fiz. 67, 35–38 (July 1997)     

Microwave dielectric tangent losses in KDP and DKDP crystals

By adding cubic and quartic phonon anharmonic interactions in the pseudospin lattice coupled mode (PLCM) model for KDP-type crystals and using double-time temperature dependent Green's function method, expressions for soft mode frequency, dielectric constant and dielectric tangent loss are obtained. Using model parameters given by Ganguliet al [9] the dielectric losses are calculated for KDP and DKDP crystals. In the microwave frequency range an increase in frequency (1–35 GHz) is followed by an increase in dielectric tangent loss (1–35) at 98 K and (1–15) × 10⁻² at 333 K for KDP and DKDP crystals respectively. The dielectric tangent loss decreases from 0.052 to 0.042 for KDP crystals with increase in temperature from 130 to 170 K and for DKDP crystals it decreases from 0.0166 to 0.0074 with an increase in temperature from 230–343 K in their paraelectric phases at 10 GHz. This shows Curie-Weiss behavior of the dielectric tangent loss     

Thermopower in quasi-two-dimensional (BEDT-TTF) m X n organic conductors

Thermopower of (BEDT-TTF) _m X _n organic conductors has been studied using a dedicated measurement technique in the temperature range of 4.2 to 300 K. It turned out that some features of the thermopower in quasi-two-dimensional metals, namely the presence of a peak in the thermopower of α-(BEDT-TTF)₂MHg(SCN)₄ and a plateau in κ-(BEDT-TTF)₂Cu(NCS)₂ in the temperature interval between 10 and 50 K, are probably due to the phonon drag effect. Similar temperature dependences of the Seebeck coefficient can be satisfactorily interpreted in terms of a simple model taking into account the real experimental curve of the phonon heat capacity versus temperature, C ∝ T ², which is not described by the Debye formula. One feature distinguishing organic superconductors from magnetically ordered metals is a stronger temperature dependence of the characteristic electron-phonon scattering time τ _e-ph(T). Phonon drag effects also determine the behavior of the thermopower in the (BEDT-TTF)₃Cl₂·2H₂O organic conductor, which is characterized by a metal-insulator transition at T∼150 K. An analysis of measurements of the conductivity and thermopower vs. temperature taken together indicates that the transition in this compound has a complex nature: first (at T∼150 K) a metal-insulator transition occurs, which produces an energy gap in the band spectrum, then at a lower temperature (T∼20 K) a transition to a charge-density wave state takes place. Zh. éksp. Teor. Fiz. 113, 323–338 (January 1998)     

Optical phonon spectrum of germanium quantum dots

We have observed additional lines, shifted in both directions relative to the frequency of the bulk phonon of Ge, in the Raman scattering spectra from optical phonons in germanium quantum dots. The observed phonon modes are shown to be due to the straining of the quantum dots as a result of the lattice mismatch of the Ge and Si matrices. The observed frequency shifts, with allowance for optical-phonon localization effects, make it possible to determine the sizes of the regions with different strain states in the quantum dots. Pis’ma Zh. éksp. Teor. Fiz. 70, No. 4, 279–283 (25 August 1999)     

Characteristic features of the low-temperature thermal conductivity of highly-enriched and natural germanium

Experimental data on the thermal conductivity K(T) of natural and highly enriched (99.99%) Ge⁷⁰ crystals with ground and polished surfaces are analyzed in the temperature interval ∼2–8 K. In all samples, the boundary scattering mechanism predominates in the interval from 2 to 4.0 K. As temperature increases, in highly enriched samples N processes start to contribute to phonon transport and the behavior of K(T) corresponds to viscous Poiseuille flow of a phonon gas. The isotopic scattering mechanism plays a large role in isotopically nonideal samples. Fiz. Tverd. Tela (St. Petersburg) 40, 1604–1607 (September 1998)     

Pseudocritical point on the melting curve of a metastable phase

The possibility of the existence of a limit to which the melting curve can be extrapolated into the metastable region is discussed. The analysis is made for the example of GaSb, for which the stable and metastable phases of the T-P diagram are known. When the melting curve of the high-pressure modification is extrapolated to low pressures, it crosses the curve of complete instability of the disordered phase at a point k. Since the melting curve is a line of equilibrium between two phases, one of which ceases to exist at the point k because the minimum of the thermodynamic potential that corresponds to this phase becomes degenerate, the melting curve terminates at the point k and further extrapolation of the curve is physically meaningless. Pis’ma Zh. éksp. Teor. Fiz. 66, No. 4, 260–262 (25 August 1997)     

Characteristics of the formation of radiation defects in silicon structures

The method of deep-level transient spectroscopy is used to investigate aspects of the formation of radiation defects in silicon p ⁺-n diffusion structures when bombarded by accelerated electrons. It is shown that for base thicknesses of the p ⁺-n structures in the range 0.2–0.6mm a substantial change in the concentration of the radiation defects formed in this way is observed, having a maximum at 0.25 mm. Below 0.2 mm and above 0.6 mm the concentration of radiation defects exhibits a weak dependence on base thickness. The observed effect is explained by variation of the relative concentrations of vacancies and interstitial silicon atoms in the base during formation of p ⁺-n pairs. Zh. Tekh. Fiz. 69, 121–123 (January 1999)     

Multiphonon absorption in a MgO single crystal in the terahertz range

The reflection and transmission spectra of a MgO single crystal at frequencies of 10–1000 cm⁻¹ in the temperature range 10–300 K have been measured using submillimeter and infrared Fourier spectros-copy. The evolution of anharmonic absorption with variations in temperature has been investigated in the frequency range below the frequency of the transverse optical phonon. The parameters of the dispersion model that adequately describes the lattice absorption of terahertz radiation in single-crystal magnesium oxide have been determined.     

Spectral Properties of Hypoelliptic Operators

 We study hypoelliptic operators with polynomially bounded coefficients that are of the form K=∑ _i=1 ^m X _i ^T X _i +X ₀+f, where the X _j denote first order differential operators, f is a function with at most polynomial growth, and X _i ^T denotes the formal adjoint of X _i in L ². For any ɛ>0 we show that an inequality of the form ||u||_δ,δ≤C(||u||_0,ɛ+||(K+iy)u||_0,0) holds for suitable δ and C which are independent of yR, in weighted Sobolev spaces (the first index is the derivative, and the second the growth). We apply this result to the Fokker-Planck operator for an anharmonic chain of oscillators coupled to two heat baths. Using a method of Hérau and Nier [HN02], we conclude that its spectrum lies in a cusp {x+iy|x≥|y|^τ−c,τ(0,1],cR}. Received: 30 July 2002 / Accepted: 18 October 2002 Published online: 25 February 2003 RID="*" ID="*" Present address: Mathematics Research Centre of the University of Warwick Communicated by A. Kupiainen     

Effect of weak disorder on the magnetic properties of highly correlated electron systems

The effect of weak disorder on the magnetic properties of highly correlated electron systems is studied by the diagrammatic technique with X operators within the t-J-A model, which combines the t-J with the Anderson model. The generalized random-phase approximation (GRPA) is used to calculate the dynamic magnetic susceptibility, and the condition of its divergence is employed to determine the criteria of paramagnetic phase instability with respect to ferromagnetic and antiferromagnetic ordering. Magnetic phase diagrams are constructed, and the Curie and Néel temperatures are calculated. It is shown that weak disorder in a highly correlated electron system suppresses ferromagnetism and extends antiferromagnetism. Fiz. Tverd. Tela (St. Petersburg) 39, 1609–1615 (September 1997)     

Tunneling investigations of the phonon spectrum of a Bi 2223 metal oxide at high pressures

Pronounced softening of the high-frequency part of the phonon spectrum at high pressures is observed by means of tunneling spectroscopy. As the pressure is increased, the characteristic frequencies of the spectrum at ħΩ>60 mV decrease at the rate d ln(ħΩ)/dP≈(−6.5±0.5)×10⁻³ kbar⁻¹. On the other hand, hydrostatic pressure causes the low frequencies of the phonon spectrum of Bi 2223 metal oxide to shift very slightly toward higher energies, consistent with Raman spectra. Fiz. Tverd. Tela (St. Petersburg) 39, 1764–1766 (October 1997)     

Si–Si optical phonon behavior in localized Si clusters of Si<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Ge<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript> alloy nanocrystals

Raman spectra acquired from Si _x Ge_1−x -nanocrystal-embedded SiO₂ films show dependence of the Si–Si optical phonon frequency on Si content. The frequency upshifts, and peak intensity increases as the silicon concentration increases. For a given Si content, the frequency remains unchanged with annealing temperature. Spectral analysis and density functional theory calculation reveal that the optical Si–Si phonon is related to the formation of localized Si clusters surrounded by Si/Ge atomic layers in the Si _x Ge_1−x nanocrystals and the intensity enhancement arises from the larger cluster size. The synergetic effect of surface tensile stress and phonon confinement determines the Si–Si optical phonon behavior.