Existence of the Stark-Wannier quantum resonances

In this paper we prove the existence of the Stark-Wannier quantum resonances for one-dimensional Schrodinger operators with smooth periodic potential and small external homogeneous electric field. Such a result extends the existence result previously obtained in the case of periodic potentials with a finite number of open gaps.Comment: 30 pages, 1 figur

Electron energy spectrum and the Berry phase in graphite bilayer

We emphasize that there exist four Dirac-type points in the electron-energy spectrum of a graphite bilayer near the point K of its Brillouin zone. One of the Dirac points is at the point K, and three Dirac points lie nearby. Each of these three points generates the Berry phase $\pi$, while the Dirac point at K gives the phase $-\pi$. It is these four points that determine the Berry phase in the bilayer. If an electron orbit surrounds all these points, the Berry phase is equal to $2\pi$.Comment: 4 pages, 2 figures, submitted to Phys. Rev. B ; expande

All-optically induced ultrafast photocurrents: Beyond the instantaneous coherent response

It is demonstrated that the non-instantaneous response of the optically induced coherent polarization tremendously influences the real-space shift of electronic charges in semiconductors. The possibility to coherently control this real-space shift with temporally non-overlapping excitation pulses allows for the observation of a new type of shift current, which only exists for certain polarization-shaped excitation pulses and vanishes in the continuous-wave limit. In contrast to previously studied shift currents, the new current requires a phase mismatch between two orthogonal transition dipole moments and leads, within a nonlinear second-order description, to a tensor which is antisymmetric with respect to the order of the two exciting electric field amplitudes. These observations, which can even be made at room temperature and are expected to occur in a variety of semiconductor crystal classes, contribute to a better understanding of light-matter interaction involving degenerate bands. Thus, they are expected to prove important for future studies of coherent and nonlinear optical effects in semiconductors

Methodological confounds of measuring urinary oxidative stress in wild animals

Abstract Biomarkers of oxidative stress (OS) are useful in addressing a wide range of research questions, but thus far, they have had limited application to wild mammal populations due to a reliance on blood or tissue sampling. A shift toward non‐invasive measurement of OS would allow field ecologists and conservationists to apply this method more readily. However, the impact of methodological confounds on urinary OS measurement under field conditions has never been explicitly investigated. We combined a cross‐sectional analysis with a field experiment to assess the impact of four potential methodological confounds on OS measurements: (1) time of sampling, (2) environmental contamination from foliage; (3) delay between sample collection and flash‐freezing in liquid nitrogen; and (4) sample storage of up to 15 months below −80°C. We measured DNA oxidative damage (8‐hydroxy‐2′‐deoxyguanosine, 8‐OHdG), lipid peroxidation (malondialdehyde, MDA), total antioxidant capacity (TAC), and uric acid (UA) in 167 urine samples collected from wild Zanzibar red colobus (Piliocolobus kirkii). We found that MDA was higher in samples collected in the morning than in the afternoon but there were no diurnal patterns in any of the other markers. Contamination of samples from foliage and length of time frozen at −80°C for up to 15 months did not affect OS marker concentrations. Freezing delay did not affect OS levels cross‐sectionally, but OS values from individual samples showed only moderate‐to‐good consistency and substantial rank‐order reversals when exposed to different freezing delays. We recommend that diurnal patterns of OS markers and the impact of storage time before and after freezing on OS marker concentrations be considered when designing sampling protocols. However, given the high stability we observed for four OS markers subject to a variety of putative methodological confounds, we suggest that urinary OS markers provide a valuable addition to the toolkit of field ecologists and conservationists within reasonable methodological constraints

Superconductivity in ferromagnetic metals and in compounds without inversion centre

The symmetry properties and the general overview of the superconductivity theory in the itinerant ferromagnets and in materials without space parity are presented. The basic notions of unconventional superconductivity are introduced in broad context of multiband superconductivity which is inherent property of ferromagnetic metals or metals without centre of inversion.Comment: 38 pages, no figure

Spectral and Fermi surface properties from Wannier interpolation

We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of iron. The first step is to perform a conventional first-principles calculation and store the low-lying Bloch functions evaluated on a uniform grid of k-points in the Brillouin zone. We then map those states onto a set of maximally-localized Wannier functions, and evaluate the matrix elements of the Hamiltonian and the other needed operators between the Wannier orbitals, thus setting up an ``exact tight-binding model.'' In this compact representation the k-space quantities are evaluated inexpensively using a generalized Slater-Koster interpolation. Because of the strong localization of the Wannier orbitals in real space, the smoothness and accuracy of the k-space interpolation increases rapidly with the number of grid points originally used to construct the Wannier functions. This allows k-space integrals to be performed with ab-initio accuracy at low cost. In the Wannier representation, band gradients, effective masses, and other k-derivatives needed for transport and optical coefficients can be evaluated analytically, producing numerically stable results even at band crossings and near weak avoided crossings.Comment: 12 pages, 7 figure

Rigorous definition of oxidation states of ions in solids

We present justification and rigorous procedure for electron partitioning among atoms in extended systems. The method is based on wavefunction topology and the modern theory of polarization, rather than charge density partitioning or wavefunction projection, and, as such, re-formulates the concept of oxidation state without assuming real-space charge transfer between atoms. This formulation provides rigorous electrostatics of finite extent solids, including films and nanowires.Comment: 4 pages, 3 figure

Quantum kinetic theory of shift current electron pumping in semiconductors

We develop a theory of laser beam generation of shift currents in non-centrosymmetric semiconductors. The currents originate when the excited electrons transfer between different bands or scatter inside these bands, and asymmetrically shift their centers of mass in elementary cells. Quantum kinetic equations for hot-carrier distributions and expressions for the induced currents are derived by nonequilibrium Green functions. In applications, we simplify the approach to the Boltzmann limit and use it to model laser-excited GaAs in the presence of LO phonon scattering. The shift currents are calculated in a steady-state regime.Comment: 23 pages, 5 figures (Latex

Wannier functions of elliptic one-gap potentials

Wannier functions of the one dimensional Schroedinger equation with elliptic one gap potentials are explicitly constructed. Properties of these functions are analytically and numerically investigated. In particular we derive an expression for the amplitude of the Wannier function in the origin, a power series expansion valid in the vicinity of the origin and an asymptotic expansion characterizing the decay of the Wannier function at large distances. Using these results we construct an approximate analytical expression of the Wannier function which is valid in the whole spatial domain and is in good agreement with numerical results.Comment: 24 pages, 5 figure

Anomalous Hall effect in 2D Dirac band: link between Kubo-Streda formula and semiclassical Boltzmann equation approach

The anomalous Hall effect (AHE) is a consequence of spin-orbit coupling in a ferromagnetic metal and is related primarily to density-matrix response to an electric field that is off-diagonal in band index. For this reason disorder contributions to the AHE are difficult to treat systematically using a semi-classical Boltzmann equation approach, even when weak localization corrections are disregarded. In this article we explicitly demonstrate the equivalence of an appropriately modified semiclassical transport theory which includes anomalous velocity and side jump contributions and microscopic Kubo-Streda perturbation theory, with particular unconventional contributions in the semiclassical theory identified with particular Feynman diagrams when calculations are carried out in a band-eigenstate representation. The equivalence we establish is verified by explcit calculations for the case of the two-dimensional (2D) Dirac model Hamiltonian relevant to graphene.Comment: 17 pages, 13 figure