SKM 2023 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 5: Heterostructures, interfaces and surfaces
HL 5.2: Vortrag
Montag, 27. März 2023, 10:15–10:30, POT 112
Tackling the band ordering problem for transport calculations in strained semiconductors: A k × p perspective — •Daniel Fritsch1, Costanza L. Manganelli2, Christian Merdon1, and Patricio Farrell1 — 1Weierstrass Institute for Applied Analysis and Stochastics, Mohrenstr. 39, 10117 Berlin, Germany — 2IHP Leibniz-Institute for High Performance Microelectronics, Im Technologiepark 25, 15236 Frankfurt (Oder), Germany
A reliable determination of band energies in strained semiconductor heterostructures is indispensable for subsequent transport calculations. However, one crucial problem is presently hidden within the change in valence band ordering due to intrinsically occurring strain in semiconductor heterostructures, nanowires, or quantum dots.
In order to tackle this problem, we present a numerical algorithm based on the Bir-Pikus k × p Hamiltonian, that takes into account additional wavevector dependent properties, e.g. the effective mass tensor, to identify the nature of the valence bands. It provides the necessary connection between arbitrary strain profiles for semiconductor nanostructures calculated by means of a finite element method [1] and transport calculations employing a drift diffusion model [2].
The new algorithm is applied to example strain profiles, e.g. biaxial and uniaxial strain, and results are compared to earlier theoretical and experimental findings.
[1] GradientRobustMultiPhysics.jl (10.5281/zenodo.7217591).
[2] ChargeTransport.jl (10.5281/zenodo.7124161).