相关论文: Exchange interaction between the triplet exciton a…
The origins of indirect spin exchange in crystalline thin films of Copper Octabutoxy Phthalocyanine (Cu-OBPc) are investigated using Magnetic Circular Dichroism (MCD) spectroscopy. These studies are made possible by a solution deposition…
We measure singlet-triplet dephasing in a two-electron double quantum dot in the presence of an exchange interaction which can be electrically tuned from much smaller to much larger than the hyperfine energy. Saturation of dephasing and…
We demonstrate the tip induced control of the spin state of copper phthalocyanine (CuPc) on an insulator coated substrate. Accounting for electronic correlations, we find that, under the condition of energetic proximity of neutral excited…
Quantifying the spin-spin interactions which influence electronic transitions in organic semiconductors is crucial for understanding their magneto-optoelectronic properties. By combining a theoretical model for three spin interactions in…
The interplay of exchange correlations and spin-orbit interaction (SOI) on the many-body spectrum of a copper phtalocyanine (CuPc) molecule and their signatures in transport are investigated. We first derive a minimal model Hamiltonian in a…
In this paper, we introduce a new kind of spin switch based on a joint system of copper phthalocyanine (CuPc) and C59N. Using density functional theory, we investigate the total magnetic moment of this system when gradually changing the…
Recent lightwave-STM experiments have shown space and time resolution of single molecule vibrations directly on their intrinsic length and time scales. We address here theoretically the electronic dynamics of a copper-phthalocynanine in a…
We have evaluated hyperfine-induced electron spin dynamics for two electrons confined to a double quantum dot. Our quantum solution accounts for decay of a singlet-triplet correlator even in the presence of a fully static nuclear spin…
We derive exciton-spin interactions from a microscopic correlated model that captures important aspects of the physics of charge-transfer (CT) insulators to address magnetism associated with exciton creation. We present a minimal model…
From organic electronics to biological systems, understanding the role of intermolecular interactions between spin pairs is a key challenge. Here we show how such pairs can be selectively addressed with combined spin and optical…
Several prominent proposals have suggested that spins of localized electrons could serve as quantum computer qubits. The exchange interaction has been invoked as a means of implementing two qubit gates. In this paper, we analyze the…
Several recent electron spin resonance studies have observed a quintet multiexciton state during the singlet fission process. Here we provide a general theoretical explanation for the generation of this state by invoking a time-varying…
Spin triplet exciton formation sets limits on technologies using organic semiconductors that are confined to singlet-triplet photophysics. In contrast, excitations in the spin doublet manifold in organic radical semiconductors can show…
We study triplet pairing correlations induced in an SFS trilayer (where F is a ferromagnet and S an ordinary s-wave superconductor) by spin flip scattering at the interfaces. We derive and solve self consistently the appropriate…
We study exchange couplings in the organic magnets copper(II) phthalocyanine (Cu(II)Pc) and manganese(II) phthalocyanine (Mn(II)Pc) by a combination of Green's function perturbation theory and \textsl{ab initio} density-functional theory…
We investigate the changes in the electronic structure of copper phthalocyanine (CuPc) crystals that is caused by intercalation with potassium. This is done by means of {\it ab initio} LSDA and LSDA+U calculations of the electronic…
Transition metal-phtahalocyanine(Pc) compound, TPP[Fe(Pc)(CN)$_2$]$_2$, which is one of molecular conductors of charge transfer type with 3/4-filled conduction band consisting of LUMO of Pc molecules, shows characteristic features in…
The magnetic tetrapyrrole molecules (such as porphyrins and phthalocyanines) with an active transition metal atom in their centre are currently intensively studied as prosperous potential elements of devices for high-density information…
We present a systematic density functional theory study of the electronic structure of copper phthalocyanine (CuPc), using several different (semi)-local and hybrid functionals, and compare the results to experimental photoemission data. We…
Titanyl-phthalocyanines catalytic ability towards oxygen reduction is demonstrated in experimental literature. Our recent theoretical simulations revealed electronic structure origin of catalytic ability in peripherally and axially…