arXiv subjects

Mohamed Aouane

Publications and source records attributed to Mohamed Aouane.

2 recordsLinked to original sources

arXiv2026

Band-Like Transport and Cation Off-Centring in Ag/Bi-Based Solar Absorbers

Ag(I)-Bi(III)-based semiconductors have gained substantial attention as nontoxic, stable alternatives to lead-halide perovskites for optoelectronics, but are widely limited by carrier localization, which severely restricts diffusion lengths. The most efficient Ag/Bi solar absorber is AgBiS2, but diffusion lengths in nanocrystal films are <50 nm. Carrier localization in this rock-salt (Fm-3m) system is believed to arise from cation disorder, and so we herein investigate the layered cation-ordered analogue. Through beyond-DFT simulations combined with neutron and X-ray powder diffraction, we reveal that off-centring of Ag+ and Bi3+ cations is energetically-favoured in this cation-ordered phase. Despite local distortions in the AgS6 and BiS6 octahedra, band-like transport takes place, which, surprisingly, also occurs in the cation-disordered rock-salt phase when these materials are made as bulk powders. The cubic-phase powders have the same degree of cation disorder as the nanocrystals that have carrier localization, which suggests that extrinsic factors play a determining role. We ascribe the intrinsic band-like transport of both phases of AgBiS2 to its close packing, ensuring high electronic dimensionality. These insights offer pathways for designing solar absorbers avoiding carrier localization limitations, and call for future efforts to enhance the efficiency of AgBiS2 photovoltaics to focus on large-grained thin films, or improved nanocrystal surface passivation.

cond-mat.mtrl-sci↗

arXiv2025

Crystalline electric field excitations in Weyl semimetal \textit{R}AlSi (\textit{R} = Ce, Pr and Nd)

The rare earth intermetallic system \textit{R}Al\textit{X} (\textit{R} = rare earth elements, \textit{X} = Si and Ge) is known to be a promising candidate of magnetic Weyl semimetal. Due to the complex interactions between the rare earth elements and surrounding atoms, as well as hybridization with itinerant electrons, this family likely possesses highly intriguing and novel magnetic structures and thus exhibits dynamic behaviors. We systematically probe polycrystalline samples of \textit{R}AlSi (\textit{R} = La, Ce, Pr and Nd) combining inelastic neutron scattering (INS), heat capacity and magnetic susceptibility measurements. The INS measurements identify well-resolved crystalline electric field (CEF) excitations at 19.2 and 24.9 meV in CeAlSi, at 5.4 meV in PrAlSi, and at 2.5 and 4.2 meV in NdAlSi. We analyzed the INS data using the corresponding CEF models and determined the CEF parameters and ground state wave functions of \textit{R}AlSi (\textit{R} = Ce, Pr and Nd). Our results suggest strong single-ion anisotropy in their ground states: $|\pm3/2\rangle$ (94.5\%) in CeAlSi, $|\pm3\rangle$ (99.2\%) in PrAlSi, and $|\pm9/2\rangle$ (76.2\%) in NdAlSi. Notably, the weaker anisotropy and strong exchange interactions in NdAlSi promote competing magnetic orders and CEF splitting at low temperature, contrasting with the robust CEF levels in magnetic states of CeAlSi and PrAlSi.

cond-mat.str-el↗