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Phonon-limited mobility for electrons and holes in highly-strained silicon

Nicolas Roisin1*, Guillaume Brunin2,3*, Gian-Marco Rignanese3,4*, Denis Flandre1*, Jean-Pierre Raskin1*, Samuel Poncé3,4*

1 Institute of Information and Communication Technologies, Electronics and Applied Mathematics, Université catholique de Louvain, Place du Levant 3, 1348 Louvain-la-Neuve, Belgium

2 Matgenix, A6K Advanced Engineering Center, Square des Martyrs 1, 6000 Charleroi, Belgium

3 European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des Etoiles 8, 1348 Louvain-la-Neuve, Belgium

4 WEL Research Institute, Avenue Pasteur 6, 1300 Wavre, Belgium

* Corresponding authors emails: nicolas.roisin@uclouvain.be, guillaume.brunin@matgenix.com, gian-marco.rignanese@uclouvain.be, denis.flandre@uclouvain.be, jean-pierre.raskin@uclouvain.be, samuel.ponce@uclouvain.be
DOI10.24435/materialscloud:f7-p6 [version v3]

Publication date: Apr 03, 2024

How to cite this record

Nicolas Roisin, Guillaume Brunin, Gian-Marco Rignanese, Denis Flandre, Jean-Pierre Raskin, Samuel Poncé, Phonon-limited mobility for electrons and holes in highly-strained silicon, Materials Cloud Archive 2024.52 (2024), https://doi.org/10.24435/materialscloud:f7-p6


Strain engineering is a widely used technique for enhancing the mobility of charge carriers in semiconductors, but its effect is not fully understood. In this work, we perform first-principles calculations to explore the variations of the mobility of electrons and holes in silicon upon deformation by uniaxial strain up to 2% in the [100] crystal direction. We compute the π₁₁ and π₁₂ electron piezoresistances based on the low-strain change of resistivity with temperature in the range 200 K to 400 K, in excellent agreement with experiment. We also predict them for holes which were only measured at room temperature. Remarkably, for electrons in the transverse direction, we predict a minimum room-temperature mobility about 1200 cm²/Vs at 0.3% uniaxial tensile strain while we observe a monotonous increase of the longitudinal transport, reaching a value of 2200 cm²/Vs at high strain. We confirm these findings experimentally using four-point bending measurements, establishing the reliability of our first-principles calculations. For holes, we find that the transport is almost unaffected by strain up to 0.3% uniaxial tensile strain and then rises significantly, more than doubling at 2% strain. Our findings open new perspectives to boost the mobility by applying a stress in the [100] direction. This is particularly interesting for holes for which shear strain was thought for a long time to be the only way to enhance the mobility.

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File name Size Description
154.2 KiB Python and bash script used in this work
156.9 MiB ABINIT input and output files for each computations
2.2 KiB Description of the files and directories


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External references

Preprint (Preprint where the data is discussed and in which the method is described)
N. Roisin, G. Brunin, G.-M. Rignanese, D. Flandre, J.-P. Raskin, and S. Poncé (2024) (in preparation)


silicon strain mobility piezoresistive first principles