Hole doping in a negative charge transfer insulator

Charge Transfer-Induced Molecular Hole Doping into Thin Film of Metal-Organic Frameworks.

Despite the highly porous nature with significantly large surface area, metal-organic frameworks (MOFs) can be hardly used in electronic and optoelectronic devices due to their extremely poor electrical conductivity. Therefore, the study of MOF thin films that require electron transport or conductivity in combination with the everlasting porosity is highly desirable. In the present work, thin f...

Unusual valence, negative charge-transfer gaps and self-doping in transition-metal compounds

In this paper I discuss the electronic structure and properties of a specific, rather unconventional class of transition metal (TM) compounds, e.g. TM oxides, which formally have unusually high values of the oxidation state, or valence, of TM. In contrast to the typical situation, in this case the charge-transfer gap (excitation energy for the transfer of electrons from the ligands to the TM) i...

Charge transfer between a superconductor and a hopping insulator.

We develop a theory of the low-temperature charge transfer between a superconductor and a hopping insulator. We show that the charge transfer is governed by the coherent two-electron-Cooper pair conversion process time-reversal reflection, where electrons tunnel into a superconductor from the localized states in the hopping insulator located near the interface, and calculate the corresponding i...

Spin-charge separation: From one hole to finite doping

NiO: correlated band structure of a charge-transfer insulator.

The band structure of the prototypical charge-transfer insulator NiO is computed by using a combination of an ab initio band structure method and the dynamical mean-field theory with a quantum Monte-Carlo impurity solver. Employing a Hamiltonian which includes both Ni d and O p orbitals we find excellent agreement with the energy bands determined from angle-resolved photoemission spectroscopy. ...