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Light-matter interactions in van der Waals photodiodes from first-principles
- Source :
- Physical Review B, 106
- Publication Year :
- 2022
- Publisher :
- American Physical Society, 2022.
-
Abstract
- Strong light-matter interactions in van der Waals heterostructures (vdWHs) made of twodimensional (2-D) transition metal dichalcogenides (TMDs) provide a fertile ground for optoelectronic applications. Of particular interest are photo-excited inter-layer electron-hole pairs, where electrons and holes are localized in different monolayers. Here, we present an ab initio quantum transport framework relying on maximally localized Wannier Functions and the Non-equilibrium Green’s Functions to explore light-matter interactions and charge transport in 2-D vdWHs from first-principles. Electron-photon scattering is accurately taken into account through dedicated self-energies. As testbed, the behavior of a MoSe2-WSe2 PIN photodiode is investigated under the influence of a monochromatic electromagnetic signal. Inter-layer electron-hole pair generations are observed even in the absence of phonon-assisted processes. The origin of this phenomenon is identified as the delocalization of one valence band state over both monolayers composing the vdWH.<br />Physical Review B, 106<br />ISSN:1098-0121<br />ISSN:0163-1829<br />ISSN:1550-235X<br />ISSN:0556-2805<br />ISSN:2469-9969<br />ISSN:1095-3795<br />ISSN:2469-9950
- Subjects :
- Condensed Matter::Materials Science
Subjects
Details
- Language :
- English
- ISSN :
- 10980121, 01631829, 1550235X, 05562805, 24699969, 10953795, and 24699950
- Database :
- OpenAIRE
- Journal :
- Physical Review B, 106
- Accession number :
- edsair.doi.dedup.....3d6878ca79446b7053e6ea654d50f6a8