84 research outputs found
Maximally-localized Wannier functions for entangled energy bands
We present a method for obtaining well-localized Wannier-like functions (WFs)
for energy bands that are attached to or mixed with other bands. The present
scheme removes the limitation of the usual maximally-localized WFs method (N.
Marzari and D. Vanderbilt, Phys. Rev. B 56, 12847 (1997)) that the bands of
interest should form an isolated group, separated by gaps from higher and lower
bands everywhere in the Brillouin zone. An energy window encompassing N bands
of interest is specified by the user, and the algorithm then proceeds to
disentangle these from the remaining bands inside the window by filtering out
an optimally connected N-dimensional subspace. This is achieved by minimizing a
functional that measures the subspace dispersion across the Brillouin zone. The
maximally-localized WFs for the optimal subspace are then obtained via the
algorithm of Marzari and Vanderbilt. The method, which functions as a
postprocessing step using the output of conventional electronic-structure
codes, is applied to the s and d bands of copper, and to the valence and
low-lying conduction bands of silicon. For the low-lying nearly-free-electron
bands of copper we find WFs which are centered at the tetrahedral interstitial
sites, suggesting an alternative tight-binding parametrization.Comment: 13 pages, with 9 postscript figures embedded. Uses REVTEX and epsf
macro
Intersubband spin-density excitations in quantum wells with Rashba spin splitting
In inversion-asymmetric semiconductors, spin-orbit coupling induces a
k-dependent spin splitting of valence and conduction bands, which is a
well-known cause for spin decoherence in bulk and heterostructures.
Manipulating nonequilibrium spin coherence in device applications thus requires
understanding how valence and conduction band spin splitting affects carrier
spin dynamics. This paper studies the relevance of this decoherence mechanism
for collective intersubband spin-density excitations (SDEs) in quantum wells. A
density-functional formalism for the linear spin-density matrix response is
presented that describes SDEs in the conduction band of quantum wells with
subbands that may be non-parabolic and spin-split due to bulk or structural
inversion asymmetry (Rashba effect). As an example, we consider a 40 nm
GaAs/AlGaAs quantum well, including Rashba spin splitting of the conduction
subbands. We find a coupling and wavevector-dependent splitting of the
longitudinal and transverse SDEs. However, decoherence of the SDEs is not
determined by subband spin splitting, due to collective effects arising from
dynamical exchange and correlation.Comment: 10 pages, 4 figure
Binding Energy of Hydrogen-Like Impurities in Quantum Well Wires of InSb/GaAs in a Magnetic Field
The binding energy of a hydrogen-like impurity in a thin size-quantized wire of the InSb/GaAs semiconductors with Kane’s dispersion law in a magnetic fieldBparallel to the wire axis has been calculated as a function of the radius of the wire and magnitude ofB, using a variational approach. It is shown that when wire radius is less than the Bohr radius of the impurity, the nonparabolicity of dispersion law of charge carriers leads to a considerable increase of the binding energy in the magnetic field, as well as to a more rapid growth of binding energy with growth ofB
Lepton Flavour Violating Leptonic/Semileptonic Decays of Charged Leptons in the Minimal Supersymmetric Standard Model
We consider the leptonic and semileptonic (SL) lepton flavour violating (LFV)
decays of the charged leptons in the minimal supersymmetric standard model
(MSSM). The formalism for evaluation of branching fractions for the SL LFV
charged-lepton decays with one or two pseudoscalar mesons, or one vector meson
in the final state, is given. Previous amplitudes for the SL LFV charged-lepton
decays in MSSM are improved, for instance the -penguin amplitude is
corrected to assure the gauge invariance. The decays are studied not only in
the model-independent formulation of the theory in the frame of MSSM, but also
within the frame of the minimal supersymmetric SO(10) model within which the
parameters of the MSSM are determined. The latter model gives predictions for
the neutrino-Dirac Yukawa coupling matrix, once free parameters in the model
are appropriately fixed to accommodate the recent neutrino oscillation data.
Using this unambiguous neutrino-Dirac Yukawa couplings, we calculate the LFV
leptonic and SL decay processes assuming the minimal supergravity scenario. A
very detailed numerical analysis is done to constrain the MSSM parameters.
Numerical results for SL LFV processes are given, for instance for tau -> e
(mu) pi0, tau -> e (mu) eta, tau -> e (mu) eta', tau -> e (mu) rho0, tau -> e
(mu) phi, tau -> e (mu) omega, etc.Comment: 36 pages, 3 tables, 5 .eps figure
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