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Publication date: Jul 19, 2024
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 |
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data.zip
MD5md5:b58f133955d257cb808036b452a8b30d
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161.2 MiB | Output files and results of the first-principles computations |
code.zip
MD5md5:c289882ea646ea17c6490c8fed8e2128
|
277.5 KiB | Python and bash scripts used to perform the first-principles computations |
README.md
MD5md5:f363a7277c51d931387f9189965de0dc
|
2.6 KiB | Readme file with explanation about the structure of the archive |
2024.108 (version v4) [This version] | Jul 19, 2024 | DOI10.24435/materialscloud:sy-4g |
2024.52 (version v3) | Apr 03, 2024 | DOI10.24435/materialscloud:f7-p6 |
2024.50 (version v2) | Mar 26, 2024 | DOI10.24435/materialscloud:hn-kj |
2024.35 (version v1) | Feb 22, 2024 | DOI10.24435/materialscloud:3v-c0 |