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20052026
most citedAn electronic model for self-assembled hybrid organic/perovskite semiconductors: reverse band edge electronic states ordering and spin-orbit coupling

218 citations

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11 papers · 1 filter

physics.chem-ph2025★ 3 cited

\emph{Ab initio} derivation of the crystal field parameters for lanthanide ions: The f case

Dumitru-Claudiu Sergentu, Gwenhaël Duplaix-Rata, Ionel Humelnicu +2

The crystal field theory as explained by Abragam and Bleaney in their landmark 1970 book on transition-ion electron paramagnetic resonance remains a cornerstone in the development…

cond-mat.mes-hall2025★ 1 cited

Electronic and Thermoelectric Properties of Molecular Junctions Incorporating Organometallic Complexes: Implications for Thermoelectric Energy Conversion

Joseane Santos Almeida, Sergio González Casal, Hassan Al Sabea +15

The electronic and thermoelectric properties of molecular junctions formed from iron and ruthenium metal-acetylide were studied using complementary experimental techniques and quan…

cond-mat.mtrl-sci2025★ 4 cited

Roadmap for electronic structure, anharmonicity, and electron-phonon calculations in locally disordered inorganic and hybrid halide perovskites

Marios Zacharias, George Volonakis, Laurent Pedesseau +3

The role of data in modern materials science becomes more valuable and accurate when effects such as electron-phonon coupling and anharmonicity are included, providing a more reali…

cond-mat.mtrl-sci2025★ 3 cited

Electron-phonon couplings in polymorphous crystals

Marios Zacharias, George Volonakis, Laurent Pedesseau +3

Positional polymorphism in solids refers to locally disordered unit cells that, on average, reproduce the high-symmetry structures observed in diffraction experiments. Standard the…

cond-mat.mtrl-sci2025

Empirical approaches to Fröhlich excitonic polarons in polar semiconductors

Jacky Even, Simon Thebaud, Aseem Rajan Kshirsagar +4

The excitonic correlation between electron and hole and these carriers' interactions with underlying crystal lattice govern the opto-electronic response of semiconductors. The latt…

cond-mat.mtrl-sci2025

Two-dimensional perovskites with maximum symmetry enable exciton diffusion length exceeding 2 micrometers

Jin Hou, Jared Fletcher, Siedah J. Hall +15

Realizing semiconductors with high symmetry of their crystallographic structures has been a virtue of inorganic materials and has resulted in novel physical behaviors. In contrast,…