Population analysis solution to hardness enhancement in TiCxN1−x

We investigated the hardness enhancement in titanium carbonitrides (TiC_xN_1−x) by the population analysis method based on first-principles calculations. Populations for bonds TiC and TiN in TiC_xN_1−x (0.25<x<0.75) are all positive. The enhanced hardness for titanium carbonitrides is well explained by overlap population analysis. Intrinsic hardness of TiC_xN_1−x has been calculated based on the obtained overlap populations. The calculated results are in good agreement with the available experimental data.     

Elastic modulus,optical phonon modes and polaron properties in Al1−xBxN alloys

The results of first-principles plane-wave-based pseudopotential method calculations of the elastic modulus, optical phonon modes, and polaron properties of zinc-blende Al_1?xB_xN are presented. Good agreement is obtained with the exciting experimental data for AlN and BN compounds. Our results provide predictions for the remaining mixed crystals Al_1?xB_xN (0 < x < 1) for which no direct experimental or theoretical data are presently available. The compositional dependence of features such as elastic constants and their related mechanical parameters, phonon frequencies, dielectric constants, and polaron parameters was investigated. The study may be useful for the characteristic analysis of AlBN-based quantum well devices.     

Surface and interface phonon-polaritons in freestanding quantum well wire systems of polar ternary mixed crystals

The surface and interface phonon-polaritons in freestanding rectangular quantum well wire systems consisting of polar ternary mixed crystals are investigated in the modified random-element-isodisplacement model and the Born–Huang approximation, based on the Maxwell's equations with the boundary conditions. The numerical results of the surface and interface phonon-polariton frequencies as functions of the wave-vector, geometric structure, and the composition of the ternary mixed crystals in GaAs/Al_xGa_1−xAs and Zn_xCd_1−xSe/ZnSe quantum well wire systems are obtained and discussed. It is shown that there are 10 and 8 branches of surface and interface phonon-polaritons in the two quantum well wire systems respectively. The effects of the “two-mode” and “one-mode” behaviors of the ternary mixed crystals on the surface and interface phonon-polariton modes are shown in the dispersion curves.     

Resonant-tunneling structure of quantum wells in the p-i-n photovoltaic element

The method for efficient separation of photoexcited carriers, based on the resonant tunneling phenomenon in the quantum well structure placed into the i-region of the p-i-n photovoltaic element, is proposed. The parameters of quantum well structures based on the GaAs/Ga_1?x In _x As system, implementing the mode of sequential resonant tunneling in the electric field of the GaAs p-i-n junction, is calculated. A microscopic model of resonant-tunneling transport in such structures is constructed, and the kinetic tunneling times are calculated depending on well and barrier parameters. The possibility of achieving sufficiently short (<～10 ps) tunneling times and, hence, quite efficient removal of photoelectrons and photoholes from quantum wells at a proper choice of barrier powers is shown.     

A comparison between optically active CdZnSe/ZnSe and CdZnSe/ZnBeSe self-assembled quantum dots: effect of beryllium

The composition and size of optically active Cd_xZn_1−xSe/ZnSe quantum dots are estimated with a previously developed method. The results are then compared with those obtained for Cd_xZn_1−xSe/Zn_0.97Be_0.03Se QDs. We show that introducing Be into the barrier material enhances both Cd composition and quantum size effect of optically active quantum dots.     

Theoretical research on optical properties and quantum efficiency of Ga1−xAlxN photocathodes

In order to design the optimal component structure of transmission-mode (t-mode) Ga_1−xAl_xN photocathode, the optical properties and quantum efficiency of Ga_1−xAl_xN photocathodes are simulated. Based on thin film principle, optical model of t-mode Ga_1−xAl_xN photocathodes is built. And the quantum efficiency formula is put forward. Results show that Ga_1−xAl_xN photocathodes can satisfy the need of detectors with “solar blind” property when the Al component is bigger than 0.375. There is an optimal thickness of Ga_1−xAl_xN layer to get highest quantum efficiency, and the optimal thickness is 0.3 μm. There is close relation between absorptivity and quantum efficiency, which is in good agreement with the “three-step” model. This work gives a reference for the experimental research on the Ga_1−xAl_xN photocathodes.     

Theoretical modeling for quantum-confined Stark effect due to internal piezoelectric fields in GaInN strained quantum wells

Recent experimental investigations revealed that the biaxial stress in thin InGaN layers grown on thick GaN layer induces a large piezoelectric field along [0001] orientation that causes red-shift in optical transitions and reduction in oscillator strengths because of spatial separation of the electron and hole wave functions. In this Letter based on theoretical modeling we determined the well width z-dependent effect on red-shifted quantum-confined Stark effect (QCSE) in GaN/In_xGa_1 − xN (x=0.13) strained quantum well structures. Analyses are based on the solution of Schrödinger equation in a finite well including the internal piezoelectric electric field (F) due to the strained polarization as the perturbation potential. Our theoretical results show: (1) the red-shift in optical transition has a quadratic well-width form as it is for infinite wells (Davies, 1998) [1], (2) assuming the model based on a carrier effective mass dependence on the width of quantum wells, m^∗(z), fits the experimental data (Takeuchi et al., 1997) [2] much more accurate compare to the model with constant effective mass, m^∗.     

Quantum efficiency of photoconductive detectors—influence of reflection and surface recombination velocity

In this work, analytical expressions determining the quantum efficiency at low electric fields, taking into account reflections at front and back detector surfaces and corresponding surface recombination velocities, are obtained.Using these expressions, the dependence of the quantum efficiency of Hg_1−xCd_xTe photoconductive detectors on the wavelength of the incident radiation for x = 0.215, at liquid nitrogen temperature, is calculated.     

Subband transitions in AlxGa1−xN /GaN/ AlxGa1−xN and AlxGa1−xN /InN/ AlxGa1−xN single quantum wells

We have calculated the spectral regime of subband transitions in Al_xGa_1−xN/GaN and Al_xGa_1−xN/InN single quantum wells. We used a simplified model to account for the internal electric fields, which modify the shape of the quantum well. Some of the parameters for these materials have not yet been firmly established. Therefore, we carried out the analysis for the extremes of the reported values of conduction band discontinuities and band gaps (in the case of InN). This analysis shows that the spectral regime of interband transitions for 1–4 nm thick wells has wavelengths above 0.5 μm for AlGaN/InN and above 0.8 μm for AlGaN/GaN and both heterostructures cover several μm wavelengths. The spectral variation with alloy composition is less pronounced in the Al_xGa_1−xN/InN single quantum wells due to the higher electric field present across the InN quantum well as compared to GaN. The results of these calculations are in good agreement with more rigorous theoretical approaches and available experimental values for Al_xGa_1−xN/GaN.     

Study of optical properties in a cubic quantum dot

In this paper, the effect of hydrostatic pressure on both the intersubband optical absorption coefficients and the refractive index changes is studied for typical GaAs/Al _x  Ga_1?x As cubic quantum dot. We use analytical expressions for the linear and third-order nonlinear intersubband absorption coefficients and refractive index changes obtained by the compact-density matrix formalism. The linear, third-order nonlinear, and total intersubband absorption coefficients and refractive index changes are calculated at different pressures as a function of the photon energy with known values of box length (L), the incident optical intensity (I), and Al concentration (x). According to the results obtained from the present work, we have found that the pressure plays an important role in the intersubband optical absorption coefficient and refractive index changes in a cubic quantum dot.     

Spin polarization of electrons in a quantum film based on a narrow-gap semiconductor

The size-quantized spectrum of a film (quantum well) with a variable band gap based on Pb_1?x Sn _x Se compounds has been studied. It is shown that an asymmetric modulation of the band gap in the film growth direction leads to the spin splitting of the electron subbands of a uniform quantum well. The effect of the state of the film surface on spontaneous polarization of the electron gas is discussed.     

Characterization of aluminium concentration in shallow quantum wells AlxGa1−xAs/GaAs types

We report a reflectance study on series of shallow quantum wells GaAs/Al_xGa_1−xAs types with different aluminium concentration. The observed barrier exciton reflectance line shape depends strongly on the shift in aluminium concentration in the two barriers, with the appropriate choice of the cap layer thickness. This observation was based on the reflectivity line shape analysis of anti-Bragg structures.     

Optical properties of GaAs/Ga 1-xAlxAs ridge quantum wire: Third-harmonic generation

In this paper, the third-harmonic generation (THG) in GaAs/Ga_1 ? xAl_xAs ridge quantum wires is studied in detail. An analytic expression for the THG is obtained using a compact density matrix approach and an iterative procedure. Numerical calculations are performed for the typical GaAs/Ga_1 ? xAl_xAs ridge quantum wire. The results show that the maximum THG over 10^? 9_? m²_?/V²_? can be obtained. Another important point is that the structural parameters have great influence on the THG in this system.     

Quantum bicriticality in Mn1 − x Fe x Si solid solutions: Exchange and percolation effects

The T-x magnetic phase diagram of Mn_{1 ? x} Fe _x Si solid solutions is probed by magnetic susceptibility, magnetization and resistivity measurements. The boundary limiting phase with short-range magnetic order (analogue of the chiral liquid) is defined experimentally and described analytically within simple model accounting both classical and quantum magnetic fluctuations together with effects of disorder. It is shown that Mn_{1 ? x} Fe _x Si system undergoes a sequence of two quantum phase transitions. The first “underlying” quantum critical (QC) point x* ～ 0.11 corresponds to disappearance of the long-range magnetic order. This quantum phase transition is masked by short-range order phase, however, it manifests itself at finite temperatures by crossover between classical and quantum fluctuations, which is predicted and observed in the paramagnetic phase. The second QC point x _c ～ 0.24 may have topological nature and corresponds to percolation threshold in the magnetic subsystem of Mn_{1 ? x} Fe _x Si. Above x _c the short-range ordered phase is suppressed and magnetic subsystem becomes separated into spin clusters resulting in observation of the disorder-driven QC Griffiths-type phase characterized by an anomalously divergent magnetic susceptibility χ ～ 1/T ^ξ with the exponents ξ ～ 0.5–0.6.     

Hot electrons and phonons in quantum-well AlxGa1-xAs-GaAs heterostructures

Formulas are presented to calculate the heating of charge carriers and the generation of nonequilibrium phonons by intense photoexcitation of quantum-well heterostructures. It is shown that the deviations from thermal equilibrium are more pronounced for quasi-two-dimensional structures than for bulk material. Supporting experimental data are given on an MO-CVD Al_xGa_1-xAs-GaAs heterostructure consisting of a large GaAs quantum well (L_z ～ 200 Å) coupled to a phonon-generating array of seven small GaAs quantum wells (L_z ～ 50 Å).     

Anomalous spin relaxation and quantum criticality in Mn1 − x Fe x Si solid solutions

We report results of the high frequency (60 GHz) electron spin resonance (ESR) study of the quantum critical metallic system Mn_{1 ? x} Fe _x Si. The ESR is observed for the first time in the concentration range 0 < x < 0.24 at temperatures up to 50 K. The application of the original experimental technique allowed carrying out line shape analysis and finding full set of spectroscopic parameters, including oscillating magnetization, line width and g factor. The strongest effect of iron doping consists in influence on the ESR line width and spin relaxation is marked by both violation of the classical Korringa-type relaxation and scaling behavior. Additionally, the non-Fermi-liquid effects in the temperature dependence of the ESR line width, which may be quantitatively described in the theory of Wölfle and Abrahams, are observed at quantum critical points x* ～ 0.11 and x _c ～ 0.24.     

Quantum corrections to the conductivity of a natural Nd<Subscript>2−<Emphasis Type="Italic">x</Emphasis></Subscript> Ce<Subscript>x</Subscript>CuO<Subscript>4</Subscript> superlattice

Temperature and magnetic field dependences of the resistivity and Hall coefficient in layered single-crystal Nd_2?xCe_xCuO₄ (x = 0.12) films are experimentally investigated and analyzed. It is shown that this material clearly exhibits quantum effects characteristic of 2D semiconductor structures: negative magnetoresistance caused by suppression of the interference quantum correction by a magnetic field, a near-logarithmic temperature dependence of the conductivity, and a temperature dependence of the Hall coefficient related to e-e interaction. It is shown that, when analyzing experimental data, it is necessary to take interlayer transitions into account. Such an approach provides quantitative agreement between experiment and the standard theory of quantum corrections.     

Application of coordinate transformation and finite differences method for electron and hole states calculations

In this work we are particularly interested for GaAs/Ga_1−xAl_xAs V-groove quantum wires. The paper presents an efficient and simple method for energy spectra and wave function calculations of electrons and holes in V-groove quantum wires. The method is based on the coordinate transformation of the V-groove quantum wire structure and the computational domain using a function proposed by Inoshita. Then, the Hamiltonian followed by implementation of the FDM (Finite Difference Method) in the new computational space leads to an eigenvalues problem resolved using specialized LAPACK’s routines. The influence of the parameters introduced in the mathematical function, is studied on the energy levels of electrons and holes as well as the oscillator strengths.     

Hot electron energy and momentum relaxation in GaAs/AlAs and GaAs/Ga1-xAlxAs multiple quantum wells

Experimental results on high electric field longitudinal transport in GaAs/AlAs and GaAs/Ga_1-xAl_xAs multiple quantum wells (MQW) are presented and compared with the prediction of a dielectric continuum model. We draw from our experiments the following four conclusions.(i) In GaAs/Ga_1-xAl_xAs systems the dominant energy and momentum relaxation mechanism is through scattering with GaAs -modes.(ii) However, in GaAs/AlAs systems the AlAs interface mode is dominant in relaxing the energy and momentum of the quantum well electrons.(iii) The hot electron momentum relaxation as obtained from the high-field drift velocity experiments is strongly affected by the production of hot phonons as expected from a model involving a non-drifting hot phonon distribution.(iv) The importance of the AlAs interface mode in GaAs/Ga_1-xAl_xAs MQW is not the result of the intrinsic scattering rate but related to its shorter lifetime, compared to GaAs modes.