Boron phosphide as a \emph{p}-type transparent conductor: optical absorption and transport through electron-phonon coupling

التفاصيل البيبلوغرافية
العنوان: Boron phosphide as a \emph{p}-type transparent conductor: optical absorption and transport through electron-phonon coupling
المؤلفون: Bora Karasulu, Guillaume Brunin, Geoffroy Hautier, Viet-Anh Ha, Joel B. Varley, Gian-Marco Rignanese, Ryo Maezono, Bartomeu Monserrat
المساهمون: Monserrat Sanchez, Bartomeu [0000-0002-4233-4071], Apollo - University of Cambridge Repository, UCL - SST/IMCN/MODL - Modelling
المصدر: Physical Review Materials, Vol. 4, no.6, p. 065401 (2020)
سنة النشر: 2020
مصطلحات موضوعية: 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
الوصف: 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.
وصف الملف: application/pdf
اللغة: English
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78791ce4f710c8efe054f37dc648ca74
http://arxiv.org/abs/2004.05390
حقوق: OPEN
رقم الأكسشن: edsair.doi.dedup.....78791ce4f710c8efe054f37dc648ca74
قاعدة البيانات: OpenAIRE