activity
20082026
most citedAb initio lattice dynamics simulations and inelastic neutron scattering spectra for studying phonons in BaFe2As2: Effect of structural phase transition, structural relaxation and magnetic ordering

71 citations · 464 across the 30 of their papers we have counts for

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Showing 2019Show all

5 papers · 1 filter

cond-mat.mtrl-sci2019★ 6 cited

Anomalous thermal expansion in one-dimensional transition-metal cyanides: Behavior of the trimetallic cyanide CuAgAuCN

Stella d'Ambrumenil, Mohamed Zbiri, Simon J. Hibble +4

The structural dynamics of a 1D mixed-metal cyanide, CuAgAuCN, with intriguing thermal properties is explored. All the current known related compounds with…

cond-mat.mtrl-sci2019

Freeing electrons from extrinsic and intrinsic disorder yields band-like transport in n-type organic semiconductors

Marc-Antoine Stoeckel, Yoann Olivier, Marco Gobbi +15

Charge transport in organic semiconductors is notoriously extremely sensitive to the presence of disorder, both intrinsic and extrinsic, especially for n-type materials. Intrinsic…

cond-mat.mtrl-sci2019

Phonons and Anomalous Lattice Behaviour in KMnAg3(CN)6 and KNiAu3(CN)6: Inelastic Neutron Scattering and First-Principles Calculations

Baltej Singh, Mayanak K. Gupta, Ranjan Mittal +4

Cyanide based framework compounds are known to show large negative thermal expansion behaviour. Here we report the phonon and anomalous lattice behavior of two metal cyanide framew…

cond-mat.mtrl-sci2019★ 20 cited

Mapping Microstructural Dynamics up to the Nanosecond of the Conjugated Polymer P3HT in the Solid State

Anne A. Y. Guilbert", Mohamed Zbiri", Peter A. Finn +6

We present a detailed study of the structure-dynamics relationship of regio-regular and regio-random PEHT using different neutron scattering techniques. Deuteration is employed to…

cond-mat.mtrl-sci2019★ 14 cited

Phonon dynamics in the layered negative thermal expansion compounds CuNi(CN)

Stella d'Ambrumenil, Mohamed Zbiri, Ann Chippindale +1

This study explores the relationship between phonon dynamics and negative thermal expansion (NTE) in CuNi(CN). The partial replacement of nickel (II) by copper (II)…