Theory of band gap bowing of disordered substitutional II-VI and III-V semiconductor alloys

For a wide class of technologically relevant compound III-V and II-VI semiconductor materials AC and BC mixed crystals (alloys) of the type A(x)B(1-x)C can be realized. As the electronic properties like the bulk band gap vary continuously with x, any band gap in between that of the pure AC and BC systems can be obtained by choosing the appropriate concentration x, granted that the respective ratio is miscible and thermodynamically stable. In most cases the band gap does not vary linearly with x, but a pronounced bowing behavior as a function of the concentration is observed. In this paper we show that the electronic properties of such A(x)B(1-x)C semiconductors and, in particular, the band gap bowing can well be described and understood starting from empirical tight binding models for the pure AC and BC systems. The electronic properties of the A(x)B(1-x)C system can be described by choosing the tight-binding parameters of the AC or BC system with probabilities x and 1-x, respectively. We demonstrate this by exact diagonalization of finite but large supercells and by means of calculations within the established coherent potential approximation (CPA). We apply this treatment to the II-VI system Cd(x)Zn(1-x)Se, to the III-V system In(x)Ga(1-x)As and to the III-nitride system Ga(x)Al(1-x)N.Comment: 14 pages, 10 figure

Chaos and energy spreading for time-Dependent Hamiltonians, and the various Regimes in the theory of Quantum Dissipation

We make the first steps towards a generic theory for energy spreading and quantum dissipation. The Wall formula for the calculation of friction in nuclear physics and the Drude formula for the calculation of conductivity in mesoscopic physics can be regarded as two special results of the general formulation. We assume a time-dependent Hamiltonian $H(Q,P;x(t))$ with $x(t)=Vt$, where $V$ is slow in a classical sense. The rate-of-change $V$ is not necessarily slow in the quantum-mechanical sense. Dissipation means an irreversible systematic growth of the (average) energy. It is associated with the stochastic spreading of energy across levels. The latter can be characterized by a transition probability kernel $P_t(n|m)$ where $n$ and $m$ are level indices. This kernel is the main object of the present study. In the classical limit, due to the (assumed) chaotic nature of the dynamics, the second moment of $P_t(n|m)$ exhibits a crossover from ballistic to diffusive behavior. We define the $V$ regimes where either perturbation theory or semiclassical considerations are applicable in order to establish this crossover in the quantal case. In the limit $\hbar\to 0$ perturbation theory does not apply but semiclassical considerations can be used in order to argue that there is detailed correspondence, during the crossover time. In the perturbative regime there is a lack of such correspondence. Namely, $P_t(n|m)$ is characterized by a perturbative core-tail structure that persists during the crossover time. In spite of this lack of (detailed) correspondence there may be still a restricted correspondence as far as the second-moment is concerned. Such restricted correspondence is essential in order to establish the universal fluctuation-dissipation relation.Comment: 46 pages, 6 figures, 4 Tables. To be published in Annals of Physics. Appendix F improve

Multiplexing regulated traffic streams: design and performance

The main network solutions for supporting QoS rely on traf- fic policing (conditioning, shaping). In particular, for IP networks the IETF has developed Intserv (individual flows regulated) and Diffserv (only ag- gregates regulated). The regulator proposed could be based on the (dual) leaky-bucket mechanism. This explains the interest in network element per- formance (loss, delay) for leaky-bucket regulated traffic. This paper describes a novel approach to the above problem. Explicitly using the correlation structure of the sources’ traffic, we derive approxi- mations for both small and large buffers. Importantly, for small (large) buffers the short-term (long-term) correlations are dominant. The large buffer result decomposes the traffic stream in a stream of constant rate and a periodic impulse stream, allowing direct application of the Brownian bridge approximation. Combining the small and large buffer results by a concave majorization, we propose a simple, fast and accurate technique to statistically multiplex homogeneous regulated sources. To address heterogeneous inputs, we present similarly efficient tech- niques to evaluate the performance of multiple classes of traffic, each with distinct characteristics and QoS requirements. These techniques, applica- ble under more general conditions, are based on optimal resource (band- width and buffer) partitioning. They can also be directly applied to set GPS (Generalized Processor Sharing) weights and buffer thresholds in a shared resource system

Resource dimensioning through buffer sampling

Link dimensioning, i.e., selecting a (minimal) link capacity such that the users’ performance requirements are met, is a crucial component of network design. It requires insight into the interrelationship among the traffic offered (in terms of the mean offered load , but also its fluctuation around the mean, i.e., ‘burstiness’), the envisioned performance level, and the capacity needed. We first derive, for different performance criteria, theoretical dimensioning formulas that estimate the required capacity $c$ as a function of the input traffic and the performance target. For the special case of Gaussian input traffic, these formulas reduce to $c = M + \alpha V$, where directly relates to the performance requirement (as agreed upon in a service level agreement) and $V$ reflects the burstiness (at the timescale of interest). We also observe that Gaussianity applies for virtually all realistic scenarios; notably, already for a relatively low aggregation level, the Gaussianity assumption is justified.\ud As estimating $M$ is relatively straightforward, the remaining open issue concerns the estimation of $V$. We argue that particularly if corresponds to small time-scales, it may be inaccurate to estimate it directly from the traffic traces. Therefore, we propose an indirect method that samples the buffer content, estimates the buffer content distribution, and ‘inverts’ this to the variance. We validate the inversion through extensive numerical experiments (using a sizeable collection of traffic traces from various representative locations); the resulting estimate of $V$ is then inserted in the dimensioning formula. These experiments show that both the inversion and the dimensioning formula are remarkably accurate

Impurity effects in a two--dimensional system with Dirac spectrum

It is demonstrated that in a two--band 2D system the resonance state is manifested close to the energy of the Dirac point in the electron spectrum for the sufficiently large impurity perturbation. With increasing the impurity concentration, the electron spectrum undergoes the rearrangement, which is characterized by the opening of the broad quasi--gap in the vicinity of the nodal point. If the critical concentration for the spectrum rearrangement is not reached, the domain of localized states remains exponentially small compared to the bandwidth.Comment: 4 pages, 1 figur

Disorder and Impurities in Hubbard-Antiferromagnets

We study the influence of disorder and randomly distributed impurities on the properties of correlated antiferromagnets. To this end the Hubbard model with (i) random potentials, (ii) random hopping elements, and (iii) randomly distributed values of interaction is treated using quantum Monte Carlo and dynamical mean-field theory. In cases (i) and (iii) weak disorder can lead to an enhancement of antiferromagnetic (AF) order: in case (i) by a disorder-induced delocalization, in case (iii) by binding of free carriers at the impurities. For strong disorder or large impurity concentration antiferromagnetism is eventually destroyed. Random hopping leaves the local moment stable but AF order is suppressed by local singlet formation. Random potentials induce impurity states within the charge gap until it eventually closes. Impurities with weak interaction values shift the Hubbard gap to a density off half-filling. In both cases an antiferromagnetic phase without charge gap is observed.Comment: 16 pages, 9 figures, latex using vieweg.sty (enclosed); typos corrected, references updated; to appear in "Advances in Solid State Physics", Vol. 3

Resource dimensioning through buffer sampling

Link dimensioning, i.e., selecting a (minimal) link capacity such that the users’ performance requirements are met, is a crucial component of network design. It requires insight into the interrelationship between the traffic offered (in terms of the mean offered load M, but also its fluctuation around the mean, i.e., ‘burstiness’), the envisioned performance level, and the capacity needed. We first derive, for different performance criteria, theoretical dimensioning formulae that estimate the required capacity C as a function of the input traffic and the performance target. For the special case of Gaussian input traffic these formulae reduce to C = M+V , where directly relates to the performance requirement (as agreed upon in a service level agreement) and V reflects the burstiness (at the timescale of interest). We also observe that Gaussianity applies for virtually all realistic scenarios; notably, already for a relatively low aggregation level the Gaussianity assumption is justified.\ud As estimating M is relatively straightforward, the remaining open issue concerns the estimation of V . We argue that, particularly if V corresponds to small time-scales, it may be inaccurate to estimate it directly from the traffic traces. Therefore, we propose an indirect method that samples the buffer content, estimates the buffer content distribution, and ‘inverts’ this to the variance. We validate the inversion through extensive numerical experiments (using a sizeable collection of traffic traces from various representative locations); the resulting estimate of V is then inserted in the dimensioning formula. These experiments show that both the inversion and the dimensioning formula are remarkably accurate

Single hole motion in LaMnO3_3

We study single hole motion in LaMnO$_3$ using the classical approximation for JT lattice distortions, a modified Lang-Firsov approximation for dynamical breathing-mode phonons, and the self-consistent Born approximation (verified by exact diagonalization) for hole-orbital-excitation scattering. We show that in the realistic parameter space for LaMnO$_3$, quantum effects of electron-phonon interaction are small. The quasiparticle bandwidth $W \simeq 2.2J$ in the purely orbital t-J model. It is strikingly broadened to be of order $t$ by strong static Jahn-Teller lattice distortions even when the polaronic band narrowing is taken into account.Comment: 4 pages, 4 eps figure

Mott transition in the asymmetric Hubbard model at half-filling within dynamical mean-field theory

We apply the approximate analytic methods to the investigation of the band structure of the asymmetric Hubbard model where the chemical potentials and electron transfer parameters depend on the electron spin (type of quasiparticles). The Hubbard-I and alloy-analogy approximations are the simplest approximations which are used. Within the alloy-analogy approximation, the energy band of particles does not depend on the transfer parameter of particles of another sort. It means that the gap in the spectrum opens at the critical value $U_{c}$ that is the same in two different limiting cases: the Falicov-Kimball model and the standard Hubbard model. The approximate analytic scheme of the dynamical mean-field theory is developed to include into the theory the scattering of particles responsible for the additional mechanism (due to the transfer of particles of another sort) of the band formation. We use the so-called GH3 approach that is a generalization of the Hubbard-III approximation. The approach describes the continuous Mott transition with the $U_{c}$ value dependent on a ratio of transfer parameters of different particles.Comment: 10 pages, 10 figure