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The electron spectrum in a uniform nanowire with a hexagonal cross-section is calculated by means of a numerical diagonalization of the effective-mass Hamiltonian. Two basis sets are utilized. The wave-functions of low-lying states are calculated and visualized. The approach has an advantage over mesh methods based on finite-differences (or finite-elements) schemes: non-physical solutions do not arise. Our scheme can be easily generalized to the case of multi-band (Luttinger or Kane) ${bf k}cdot{bf p}$ Hamiltonians. The external fields (electrical, magnetic or strain) can be consistently introduced into the problem as well.
Topological insulator nanowires with uniform cross section, combined with a magnetic flux, can host both a perfectly transmitted mode and Majorana zero modes. Here we consider nanowires with rippled surfaces---specifically, wires with a circular cros
Hexagonal boron nitride (hBN) is a large band gap layered crystal, frequently incorporated in van der Waals (vdW) heterostructures as an insulating or tunnel barrier. Localised states with energies within its band gap can emit visible light, relevant
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
We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {it ab initio} density functional theory calculations. Our microscopic models inclu
We study the electronic states of core multi-shell semiconductor nanowires, including the effect of strong magnetic fields. We show that the multi-shell overgrowth of a free-standing nanowire, together with the prismatic symmetry of the substrate, ma