Thermoelectric properties of Bi2Te3 atomic quintuple thin films

Motivated by recent experimental realizations of quintuple atomic layer films of Bi2Te3,the thermoelectric figure of merit, ZT, of the quintuple layer is calculated and found to increase by a factor of 10 (ZT = 7.2) compared to that of the bulk at room temperature. The large enhancement in ZT results from the change in the distribution of the valence band density of modes brought about by the quantum confinement in the thin film. The theoretical model uses ab initio electronic structure calculations (VASP) with full quantum-mechanical structure relaxation combined with a Landauer formalism for the linear-response transport coefficients.Comment: 4 figures, submitted to AP

From scattering theory to complex wave dynamics in non-hermitian PT-symmetric resonators

I review how methods from mesoscopic physics can be applied to describe the multiple wave scattering and complex wave dynamics in non-hermitian PT-symmetric resonators, where an absorbing region is coupled symmetrically to an amplifying region. Scattering theory serves as a convenient tool to classify the symmetries beyond the single-channel case and leads to effective descriptions which can be formulated in the energy domain (via Hamiltonians) and in the time domain (via time evolution operators). These models can then be used to identify the mesoscopic time and energy scales which govern the spectral transition from real to complex eigenvalues. The possible presence of magneto-optical effects (a finite vector potential) in multichannel systems leads to a variant (termed PTT' symmetry) which imposes the same spectral constraints as PT symmetry. I also provide multichannel versions of generalized flux-conservation laws.Comment: 10 pages, 5 figures, minireview for a theme issue, Philosophical Transactions of the Royal Society

Energy transport and fluctuations in small conductors

The Landauer-B\"uttiker formalism provides a simple and insightful way for investigating many phenomena in mesoscopic physics. By this approach we derive general formulas for the energy properties and apply them to the basic setups. Of particular interest are the noise properties. We show that energy current fluctuations can be induced by zero-point fluctuations and we discuss the implications of this result.Comment: Revised and corrected versio

Is there New Physics in B Decays ?

Rare decays of the $B$ meson are sensitive to new physics effects. Several experimental results on these decays have been difficult to understand within the standard model (SM) though more precise measurements and a better understanding of SM theory predictions are needed before any firm conclusions can be drawn. In this talk we try to understand the present data assuming the presence of new physics. We find that the data points to new physics of an extended Higgs sector and we present a two higgs doublet model with a 2-3 flavor symmetry in the down type quark sector that can explain the deviations from standard model reported in several rare B decays.Comment: 8 pages, Talk presented at Theory Canada II, Perimeter Institute, Waterloo, Canada. New references added and update

Efficient implementation of the nonequilibrium Green function method for electronic transport calculations

An efficient implementation of the nonequilibrium Green function (NEGF) method combined with the density functional theory (DFT) using localized pseudo-atomic orbitals (PAOs) is presented for electronic transport calculations of a system connected with two leads under a finite bias voltage. In the implementation, accurate and efficient methods are developed especially for evaluation of the density matrix and treatment of boundaries between the scattering region and the leads. Equilibrium and nonequilibrium contributions in the density matrix are evaluated with very high precision by a contour integration with a continued fraction representation of the Fermi-Dirac function and by a simple quadratureon the real axis with a small imaginary part, respectively. The Hartree potential is computed efficiently by a combination of the two dimensional fast Fourier transform (FFT) and a finite difference method, and the charge density near the boundaries is constructed with a careful treatment to avoid the spurious scattering at the boundaries. The efficiency of the implementation is demonstrated by rapid convergence properties of the density matrix. In addition, as an illustration, our method is applied for zigzag graphene nanoribbons, a Fe/MgO/Fe tunneling junction, and a LaMnO$_3/$SrMnO$_3$ superlattice, demonstrating its applicability to a wide variety of systems.Comment: 20 pages, 11 figure