Quantum anisotropic Heisenberg chains with superlattice structure: a DMRG study

Using the density matrix renormalization group technique, we study spin superlattices composed of a repeated pattern of two spin-1/2 XXZ chains with different anisotropy parameters. The magnetization curve can exhibit two plateaus, a non trivial plateau with the magnetization value given by the relative sizes of the sub-chains and another trivial plateau with zero magnetization. We find good agreement of the value and the width of the plateaus with the analytical results obtained previously. In the gapless regions away from the plateaus, we compare the finite-size spin gap with the predictions based on bosonization and find reasonable agreement. These results confirm the validity of the Tomonaga-Luttinger liquid superlattice description of these systems.Comment: 6 pages, 6 figure

Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface

Hybrid interfaces formed by inorganic semiconductors and organic molecules are intriguing materials for opto-electronics. Interfacial charge transfer is primarily responsible for their peculiar electronic structure and optical response. Hence, it is essential to gain insight into this fundamental process also beyond the static picture. Ab initio methods based on real-time time-dependent density-functional theory coupled to the Ehrenfest molecular dynamics scheme are ideally suited for this problem. We investigate a laser-excited hybrid inorganic/organic interface formed by the electron acceptor molecule 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-quinodimethane (F4TCNQ) physisorbed on a hydrogenated silicon cluster, and we discuss the fundamental mechanisms of charge transfer in the ultrashort time window following the impulsive excitation. The considered interface is p-doped and exhibits charge transfer in the ground state. When it is excited by a resonant laser pulse, the charge transfer across the interface is additionally increased, but contrary to previous observations in all-organic donor/acceptor complexes, it is not further promoted by vibronic coupling. In the considered time window of 100 fs, the molecular vibrations are coupled to the electron dynamics and enhance intramolecular charge transfer. Our results highlight the complexity of the physics involved and demonstrate the ability of the adopted formalism to achieve a comprehensive understanding of ultrafast charge transfer in hybrid materials