Boron phosphide as a \emph{p}-type transparent conductor: optical absorption and transport through electron-phonon coupling
| Autor: | Bora Karasulu, Guillaume Brunin, Geoffroy Hautier, Viet-Anh Ha, Joel B. Varley, Gian-Marco Rignanese, Ryo Maezono, Bartomeu Monserrat |
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| Přispěvatelé: | Monserrat Sanchez, Bartomeu [0000-0002-4233-4071], Apollo - University of Cambridge Repository, UCL - SST/IMCN/MODL - Modelling |
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Electron mobility
Materials science Physics and Astronomy (miscellaneous) Phonon Band gap FOS: Physical sciences 02 engineering and technology 01 natural sciences chemistry.chemical_compound Condensed Matter::Materials Science Effective mass (solid-state physics) 0103 physical sciences General Materials Science 010306 general physics Absorption (electromagnetic radiation) Transparent conducting film Condensed Matter - Materials Science Condensed matter physics Scattering Materials Science (cond-mat.mtrl-sci) 5104 Condensed Matter Physics 021001 nanoscience & nanotechnology chemistry Boron phosphide 0210 nano-technology 51 Physical Sciences |
| Zdroj: | Physical Review Materials, Vol. 4, no.6, p. 065401 (2020) |
| Popis: | Boron phosphide has recently been identified as a potential high-hole-mobility transparent conducting material. This promise arises from its low hole effective masses. However, boron phosphide has a relatively small, 2 eV, indirect bandgap which will affect its transparency. In this work, we computationally study both optical absorption across the indirect gap and phonon-limited electronic transport to quantify the potential of boron phosphide as a $p$-type transparent conductor. We find that phonon-mediated indirect optical absorption is weak in the visible spectrum and that the phonon-limited hole mobility is very high (around 900 ${\mathrm{cm}}^{2}$/Vs) at room temperature. This exceptional mobility comes from the combination of a low hole effective mass and very weak scattering by polar phonon modes. We rationalize the weak scattering by the less ionic bonding in boron phosphide compared to oxides. We suggest that this could be a general advantage of nonoxides for $p$-type transparent conducting applications. Using our computed properties, we assess the transparent conductor figure of merit of boron phosphide and show that it exceeds by one order of magnitude that of established $p$-type transparent conductors, confirming the potential of this material. |
| Databáze: | OpenAIRE |
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