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HL: Fachverband Halbleiterphysik

HL 18: 2D Materials and Heterostructures: Emerging Materials and Phenomena

HL 18.1: Talk

Tuesday, March 19, 2024, 09:30–09:45, EW 201

Quantum transport in monolayer and multilayer Black PhosphoreneJouda J. Khabthani1, Khouloud Chika1, Ghassen Jemaï1, Didier Mayou2, and •Guy Trambly de Laissardière31Lab. de Physique de la Matière Condensée, Faculté des Sciences de Tunis, University El Manar, Tunis, Tunisia — 2Institut Néel, CNRS / Univ. Grenoble Alpes, Grenoble, France — 3Lab. de Physique Théorique et Modélisation, CY Cergy Paris Université / CNRS, Cergy-Pontoise, France

The electronic properties of Phosphorene are very sensitive to local defects such as fonctionalization which may be covalent (resonant) or non-covalent (non-resonant). Here, we present numerical studies on the electronic structure and quantum transport in monolayer Black Phosphorus (BP), few-layer BP, and bulk BP, with a relatively high concentration of defects (a few %). In contrast to the usual Boltzmann approach for electronic transport calculations, our real space method [1,2] takes into account all the effects of defects on the electronic structure itself and the impacts of multiple scattering on conductivity. Our study shows that resonant and non-resonant scatterers have different consequences on the gap and conductivity, sometimes leading to metal-insulator transitions by varying the defect concentration.

Keywords: Phosphorene; Electronic structure; Quantum transport; Functionalization; Numerical calculation

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