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arXiv · 2410.14478

First-Principles Calculation of Alloy Scattering and n-type Mobility in Strained GeSn

Kevin Sewell·Felipe Murphy-Armando
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Abstract

We use first-principles electronic-structure theory to determine the intra- and inter-valley electron-alloy scattering parameters in n-type GeSn alloys. These parameters are used to determine the alloy scattering contributions to the n-type electron mobility of GeSn at $300K$ and $15K$ using a first iteration of the Boltzmann transport equation in the relaxation time approximation. For unstrained GeSn, we find that a Sn concentration of at least $13.5\%$ is needed to achieve an electron mobility greater than that of Ge. Our results show that the mobility of GeSn can be over $25$ times higher than the mobility of Ge, or $10^5$ cm$^2$/(Vs). At $15K$, less than $6\%$ Sn incorporation into Ge quadruples its mobility, which suggests GeSn has potential applications as a high mobility 2D electron gas. Applying biaxial tensile strain to GeSn further increases the mobility and at a lower Sn content than in unstrained GeSn.

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Kevin Sewell, Felipe Murphy-Armando. 2024-10-18. First-Principles Calculation of Alloy Scattering and n-type Mobility in Strained GeSn. https://doi.org/10.1103/physrevapplied.23.014074

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