Reversal of Band-Ordering Leads to High Hole Mobility in Strained p-type Scandium Nitride
(2023) Nano Letters : a journal dedicated to nanoscience and nanotechnology — Vol. 23, n° 17, p. 8211-8217 (2023)
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- Authors
Saha, Bivas 
- Abstract
- Low hole mobility of nitride semiconductors is a significant impediment in realizing their high-efficiency device applications. Scandium nitride (ScN), an emerging rocksalt indirect bandgap semiconductor, suffers from low hole mobility. Utilizing the ab initio Boltzmann transport formalism including spin-orbit coupling, here we show the dominating role of ionized impurity scattering in reducing the hole mobility in ScN thin films. We suggest a route to increasing the hole mobility by reversing the band ordering through strain engineering. Our calculation shows that the bi-axial tensile strain in ScN lifts the split-off hole band above the heavy hole and light hole bands, leading to a lower hole-effective mass and increasing mobility. Along with the impurity scattering, Fröhlich interaction also plays a vital role in the carrier scattering mechanism due to the polar nature of ScN. Increased hole mobility in ScN will lead to higher efficiencies in thermoelectric, plasmonics, and neuromorphic computing devices.
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Citations
Rudra, S., Rao, D., Poncé, S., & Saha, B. (2023). Reversal of Band-Ordering Leads to High Hole Mobility in Strained p-type Scandium Nitride. Nano Letters : a journal dedicated to nanoscience and nanotechnology, 23(17), 8211-8217. https://doi.org/10.1021/acs.nanolett.3c02350 (Original work published 2023)