Article Dans Une Revue Physical Review B Année : 2025

Highly variable carbon environment in the κ -(BEDT-TTF) 2 Cu 2 ( CN ) 3 salt probed by carbon K -edge x-ray absorption and resonant inelastic x-ray scattering spectroscopy

Alessandro Nicolaou
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Azzedine Bendounan
Kazuya Miyagawa
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Kazushi Kanoda
Silvia Tomić
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Résumé

Using near-edge x-ray absorption fine structure (NEXAFS) and resonant inelastic x-ray scattering (RIXS) at the C K-edge, we have studied the carbon environment and dynamics in κ-(BEDT-TTF)2Cu2(CN)3 and supplemented them by density functional theory (DFT) calculations. The maximum in the NEXAFS pre-edge is identified to originate mainly from non-equivalent carbon sites of the BEDT-TTF molecule, whereas the anionic carbons contribute to the intensity at higher energy. RIXS spectra show resonant reinforcement of the inter-orbital excitations, but without clear set of vibrational harmonics, detected previously in our N K-edge RIXS study. This finding points to the strong multi-mode vibrational excitation of all carbon sites in both (BEDT-TTF) + 2 molecular and Cu2(CN) - 3 anionic subsystems, thus demonstrating a strongly disordered environment which might have important implications for the electronic state of the κ-(BEDT-TTF)2Cu2(CN)3.

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Dates et versions

hal-05021429 , version 1 (04-04-2025)
hal-05021429 , version 2 (08-04-2025)

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Djénabou Bayo, Victor Balédent, Alberto Boccuni, Vita Ilakovac, Stéphane Carniato, et al.. Highly variable carbon environment in the κ -(BEDT-TTF) 2 Cu 2 ( CN ) 3 salt probed by carbon K -edge x-ray absorption and resonant inelastic x-ray scattering spectroscopy. Physical Review B, 2025, 111 (12), pp.125160. ⟨10.1103/PhysRevB.111.125160⟩. ⟨hal-05021429v2⟩
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