Disordered Mott-Hubbard Physics in Nanoparticle Solids: Transitions Driven by Disorder, Interactions, and Their Interplay

ALBERTO CAMJAYI; MARCELO J. ROZENBERG; DAVIS UNRUH; JOEL BOBADILLA; CHASE HANSEN; GERGELY T. ZIMANYI

NANO LETTERS (PRINT)

AMER CHEMICAL SOC

Lugar: Washington; Año: 2020 vol. 20 p. 8569 - 8575

1530-6984

We show that adapting the knowledge developed for the disordered Mott-Hubbard model to Nanoparticle (NP) solids can deliver many very helpful new insights. We developed a 'Hierarchical Nanoparticle Transport Simulator' (HINTS), which builds from localized states to describe the Disorder-localized and Mott-localized phases of NP solids, and the transitions out of these localized phases. We also studied the interplaybetween correlations and disorder in the corresponding multi-orbital Hubbard model at and away from integer filling by Dynamical Mean Field Theory. This DMFT approach is complementary to HINTS, as it builds from the metallic phase of the NP solid. The mobility scenarios produced by the two methods are strikingly similar, and account for the mobilities measured in NP solids. We conclude by constructing the comprehensivephase diagram of PbSe NP solids on the disorder-filling plane.