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Register a new userValley and spin splittings in PbSe nanowires
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We use an empirical tight-binding approach to calculate electron and hole states in [111]-grown PbSe nanowires. We show that the valley-orbit and spin-orbit splittings are very sensitive to the atomic arrangement within the nanowire elementary cell and differ for [111]-nanowires with microscopic $D_{3d}$, $C_{2h}$ and $D_{3}$ symmetries. For the nanowire diameter below 4 nm the valley-orbit splittings become comparable with the confinement energies and the $boldsymbol{k}cdotboldsymbol{p}$ method is inapplicable. Nanowires with the $D_{3}$ point symmetry having no inversion center exhibit giant spin splitting $E = alpha k_z$, linear in one-dimensional wave vector $k_z$, with the constant $alpha$ up to 1 eV$cdot$AA.
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A theory of the electronic structure and excitonic absorption spectra of PbS and PbSe nanowires and nanorods in the framework of a four-band effective mass model is presented. Calculations conducted for PbSe show that dielectric contrast dramatically strengthens the exciton binding in narrow nanowires and nanorods. However, the self-interaction energies of the electron and hole nearly cancel the Coulomb binding, and as a result the optical absorption spectra are practically unaffected by the strong dielectric contrast between PbSe and the surrounding medium. Measurements of the size-dependent absorption spectra of colloidal PbSe nanorods are also presented. Using room-temperature energy-band parameters extracted from the optical spectra of spherical PbSe nanocrystals, the theory provides good quantitative agreement with the measured spectra.
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Atomistic sp3d5s* tight-binding theory of PbSe and PbS nanocrystals is developed. It is demonstrated, that the valley splittings of confined electrons and holes strongly and peculiarly depend on the geometry of a nanocrystal. When the nanocrystal lacks a microscopic center of inversion and has T_d symmetry, the splitting is strongly suppressed as compared to the more symmetric nanocrystals with O_h symmetry, having an inversion center.
We present a detailed theoretical study of the electronic spectrum and Zeeman splitting in hole quantum wires. The spin-3/2 character of the topmost bulk-valence-band states results in a strong variation of subband-edge g factors between different subbands. We elucidate the interplay between quantum confinement and heavy-hole - light-hole mixing and identify a certain robustness displayed by low-lying hole-wire subband edges with respect to changes in the shape or strength of the wire potential. The ability to address individual subband edges in, e.g., transport or optical experiments enables the study of holes states with nonstandard spin polarization, which do not exist in spin-1/2 systems. Changing the aspect ratio of hole wires with rectangular cross-section turns out to strongly affect the g factor of subband edges, providing an opportunity for versatile in-situ tuning of hole-spin properties with possible application in spintronics. The relative importance of cubic crystal symmetry is discussed, as well as the spin splitting away from zone-center subband edges.
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