We investigate the Kondo effect in a quantum dot with almost degenerate spin-singlet and triplet states for an even number of electrons. We show that the Kondo temperature as a function of the energy difference between the states Delta reaches its maximum around Delta = 0 and decreases with increasing Delta. The Kondo effect is thus enhanced by competition between singlet and triplet states. Ou...

Triplet-state aromaticity has been recently proposed as a strategy for designing functional organic electronic compounds, many of which are polycyclic aromatic systems. However, in cases, the nature triplet state cannot be easily predicted. Moreover, it is often unclear how specific structural manipulations affect properties excited-state compounds. Herein, relationship between structure polybe...

Ferromagnetic spin valves offer the key building blocks to integrate giant- and tunneling-magnetoresistance effects into spintronics devices. Starting from a generalized Blonder-Tinkham-Klapwijk approach, we theoretically investigate impact of interfacial Rashba Dresselhaus spin-orbit couplings on tunneling conductance, thereby magnetoresistance characteristics, ferromagnet/superconductor/ferro...

We address the possibility of populating the lowest triplet state of cytosine by an "intrinsic"mechanism, namely, intersystem crossing (ISC) along the ultrafast internal conversion pathway of the electronically excited singlet species. For this purpose, we present a discussion of the ISC process and triplet-state reactivity based on theoretical analysis of the spin-orbit strength and the potent...

We explore transport properties of a normal metal-superconductor-normal metal (NSN) junction, where the superconducting region supports mixed singlet and chiral triplet pairings. We show that in the subgapped regime when the chiral triplet pairing amplitude dominates over that of the singlet, a resonance phenomena emerges out where all the quantum mechanical scattering probabilities acquire a v...

In the title compound, C(16)H(18)ClNO(3)S, the six-membered ring has a boat conformation. The two five-membered rings with the bridging O atom adopt envelope conformations, whereas the N-containing five-membered ring adopts a twisted conformation. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

The photoluminescence properties of a thermally activated delayed fluorescence emitter, 1,2-bis(carbazol-9-yl)-4,5-dicyanobenzene (2CzPN), doped in a host matrix consisting of 1,3-bis(9-carbazolyl)benzene and a polar inert molecule, camphoric anhydride (CA), in various concentrations have been investigated. It is found that the addition of CA stabilizes only the lowest singlet excited state (S1...

Diradical molecules are essential species involved in many organic and inorganic chemical reactions. The computational study of their electronic structure is often challenging, because a reliable description of the correlation, and in particular of the static one, requires multireference techniques. The Jastrow correlated antisymmetrized geminal power (JAGP) is a compact and efficient wave func...

We show how superconductors can be used to couple, initialize, and read out spatially separated spin qubits. When two single-electron quantum dots are tunnel coupled to the same superconductor, the singlet component of the two-electron state partially leaks into the superconductor via crossed Andreev reflection. This induces a gate-controlled singlet-triplet splitting which, with an appropriate...

In the title compound, C26H22N2O, one phenyl ring, one five-membered N-heterocyclic ring and one six-membered carbocyclic ring make up the hexa-hydro-benzo[f]iso-indole core. Another phenyl group is attached to the heterocyclic N atom as a substituent. The non-aromatic five- and six-membered rings both exhibit boat conformations. In the crystal, weak C-H⋯O and C-H⋯N inter-actions establish the ...