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| Pàgina inicial > Articles > Articles publicats > Stoichiometry modulates the optoelectronic functionality of zinc phosphide (Zn3-xP2+x) |
(Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) (Institut Català de Nanociència i Nanotecnologia) (Institut Català de Nanociència i Nanotecnologia) (École Polytechnique Fédérale de Lausanne. Institute of Physics) (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials)
| Data: | 2022 |
| Resum: | Predictive synthesis-structure-property relationships are at the core of materials design for novel applications. In this regard, correlations between the compositional stoichiometry variations and functional properties are essential for enhancing the performance of devices based on these materials. In this work, we investigate the effect of stoichiometry variations and defects on the structural and optoelectronic properties of monocrystalline zinc phosphide (ZnP), a promising compound for photovoltaic applications. We use experimental methods, such as electron and X-ray diffraction and Raman spectroscopy, along with density functional theory calculations, to showcase the favorable creation of P interstitial defects over Zn vacancies in P-rich and Zn-poor compositional regions. Photoluminescence and absorption measurements show that these defects create additional energy levels at about 180 meV above the valence band. Furthermore, they lead to the narrowing of the bandgap, due to the creation of band tails in the region of around 10-20 meV above the valence and below the conduction band. The ability of zinc phosphide to form off-stoichiometric compounds provides a new promising opportunity for tunable functionality that benefits applications. In that regard, this study is crucial for the further development of zinc phosphide and its application in optoelectronic and photovoltaic devices, and should pave the way for defect engineering in this kind of material. |
| Ajuts: | European Commission 101022257 European Commission 101046297 Agencia Estatal de Investigación PID2020-116093RB-C43 Ministerio de Economía y Competitividad SEV-2017-0706 Agència de Gestió d'Ajuts Universitaris i de Recerca 2017/SGR-327 |
| Nota: | Altres ajuts: ICN2 is funded by the CERCA Programme/Generalitat de Catalunya. |
| Drets: | Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original.  |
| Llengua: | Anglès |
| Document: | Article ; recerca ; Versió publicada |
| Matèria: | Compositional stoichiometry ; Effects of stoichiometry ; Functional properties ; Materials design ; Monocrystalline ; Novel applications ; Optoelectronics property ; Performance of devices ; Photovoltaic applications ; Structure-properties relationships |
| Publicat a: | Faraday Discussions, Vol. 239 (Oct. 2022) , p. 202-218, ISSN 1364-5498 |
