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Valley physics in the two-band k·p model for SiGe heterostructures and spin qubits

Tancredi Salamone1, Biel Martinez Diaz1, Jing Li1, Lukas Cvitkovich2, and Yann-Michel Niquet3,*

  • *Contact author: yniquet@cea.fr

Phys. Rev. B 113, 115304 – Published 5 March, 2026

DOI: https://doi.org/10.1103/vhwf-qbnc

Abstract

We discuss the choice and implementation of intervalley potentials in the so-called two-band k·p model for the opposite X, Y, or Z valleys of silicon. We focus on the description of valley splittings in Si/SiGe heterostructures for spin qubits, with a particular attention to alloy disorder. We demonstrate that the two-band k·p model reproduces the valley splittings of atomistic tight-binding calculations in relevant heterostructures (SiGe spikes, wiggle wells, ⋯), yet at a much lower cost. We show that the model also captures the effects of valley-orbit mixing and yields the correct intervalley dipole matrix elements that characterize manipulation, dephasing, and relaxation in spin and valley qubits. We simulate a realistic Si/SiGe spin-qubit device as an illustration, and discuss electron-phonon interactions in the two-band k·p model. Beyond spin qubits, this model enables efficient simulations of SiGe heterostructure devices where spin and valley physics are relevant.

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