<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd"> <dc:creator>Roisin, Nicolas</dc:creator> <dc:creator>Brunin, Guillaume</dc:creator> <dc:creator>Rignanese, Gian-Marco</dc:creator> <dc:creator>Flandre, Denis</dc:creator> <dc:creator>Raskin, Jean-Pierre</dc:creator> <dc:creator>Poncé, Samuel</dc:creator> <dc:date>2024-04-03</dc:date> <dc:description>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.</dc:description> <dc:identifier>https://archive.materialscloud.org/record/2024.52</dc:identifier> <dc:identifier>doi:10.24435/materialscloud:f7-p6</dc:identifier> <dc:identifier>mcid:2024.52</dc:identifier> <dc:identifier>oai:materialscloud.org:2127</dc:identifier> <dc:language>en</dc:language> <dc:publisher>Materials Cloud</dc:publisher> <dc:rights>info:eu-repo/semantics/openAccess</dc:rights> <dc:rights>Creative Commons Attribution Non Commercial 4.0 International https://creativecommons.org/licenses/by-nc/4.0/legalcode</dc:rights> <dc:subject>silicon</dc:subject> <dc:subject>strain</dc:subject> <dc:subject>mobility</dc:subject> <dc:subject>piezoresistive</dc:subject> <dc:subject>first principles</dc:subject> <dc:title>Phonon-limited mobility for electrons and holes in highly-strained silicon</dc:title> <dc:type>Dataset</dc:type> </oai_dc:dc>