New Light on an Old Story: Breaking Kasha’s Rule in Phosphorescence Mechanism of Organic Boron Compounds and Molecule Design

In this work, the phosphorescence mechanism of (E)-3-(((4-nitrophenyl)imino)methyl)-2H-thiochroman-4-olate-BF2 compound (S-BF2) is investigated theoretically. The phosphorescence of S-BF2 has been reassigned to the second triplet state (T2) by the density matrix renormalization group (DMRG) method combined with the multi-configurational pair density functional theory (MCPDFT) to approach the limit of theoretical accuracy. The calculated radiative and non-radiative rate constants support the breakdown of Kasha’s rule further. Our conclusion contradicts previous reports that phosphorescence comes from the first triplet state (T1). Based on the revised phosphorescence mechanism, we have purposefully designed some novel compounds in theory to enhance the phosphorescence efficiency from T2 by replacing substitute groups in S-BF2. Overall, both S-BF2 and newly designed high-efficiency molecules exhibit anti-Kasha T2 phosphorescence instead of the conventional T1 emission. This work provides a useful guidance for future design of high-efficiency green-emitting phosphors.

Topological Doping and Superconductivity in Cuprates: An Experimental Perspective

Hole doping into a correlated antiferromagnet leads to topological stripe correlations, involving charge stripes that separate antiferromagnetic spin stripes of opposite phases. The topological spin stripe order causes the spin degrees of freedom within the charge stripes to feel a geometric frustration with their environment. In the case of cuprates, where the charge stripes have the character of a hole-doped two-leg spin ladder, with corresponding pairing correlations, anti-phase Josephson coupling across the spin stripes can lead to a pair-density-wave order in which the broken translation symmetry of the superconducting wave function is accommodated by pairs with finite momentum. This scenario is now experimentally verified by recently reported measurements on La2−xBaxCuO4 with x=1/8. While pair-density-wave order is not common as a cuprate ground state, it provides a basis for understanding the uniform d-wave order that is more typical in superconducting cuprates.

Out-of-Plane Sulfur Distortions in the Bi4O4S3 Superconductor

The local atomic structure of the non-magnetic layered superconductor Bi4O4S3 was investigated using neutron diffraction and pair density function (PDF) analysis. Although on average, the crystal structure is well ordered, evidence for local, out–of–plane sulfur distortions is provided, which may act as a conduit for charge transfer from the SO4 blocks into the superconducting BiS2 planes. In contrast with LaO1−xFxBiS2, no sulfur distortions were detected in the planes, which indicates that charge density wave fluctuations are not supported in Bi4O4S3.

Microscopic mechanism for fluctuating pair density wave

In weakly coupled BCS superconductors, only electrons within a tiny energy window around the Fermi energy, EF, form Cooper pairs. This may not be the case in strong coupling superconductors such as cuprates, FeSe, SrTiO3 or cold atom condensates where the pairing scale, EB, becomes comparable or even larger than EF. In cuprates, for example, a plausible candidate for the pseudogap state at low doping is a fluctuating pair density wave, but no microscopic model has yet been found which supports such a state. In this work, we write an analytically solvable model to examine pairing phases in the strongly coupled regime and in the presence of anisotropic interactions. Already for moderate coupling we find an unusual finite temperature phase, below an instability temperature Ti, where local pair correlations have non-zero center-of-mass momentum but lack long-range order. At low temperature, this fluctuating pair density wave can condense either to a uniform d-wave super- conductor or the widely postulated pair-density wave phase depending on the interaction strength. Our minimal model offers a unified microscopic framework to understand the emergence of both fluctuating and long range pair density waves in realistic systems.

Gapless spin liquid and pair density wave of the Hubbard model on three-leg triangular cylinders

We study the ground state properties of the Hubbard model on three-leg triangular cylinders using large-scale density-matrix renormalization group simulations. At half-filling, we identify an intermediate gapless spin liquid phase, which has one gapless spin mode and algebraic spin-spin correlations but exponential decay scalar chiral-chiral correlations, between a metallic phase at weak coupling and Mott insulating dimer phase at strong interaction. Upon light doping the gapless spin liquid, the system exhibits power-law charge-density-wave (CDW) correlations but short-range single-particle, spin-spin, and chiral-chiral correlations. Similar to CDW correlations, the superconducting correlations also decay in power-law but oscillate in sign as a function of distance, which is consistent with the striped pair-density wave. When further doping the gapless spin liquid phase or doping the dimer order phase, another phase takes over, which has similar CDW correlations but all other correlations decay exponentially.

New data on the status and ecology of a galliform at risk of extinction: the Pyrenean grey partridge (Perdix perdix hispaniensis) in the Iberian System (Soria, Spain)

A study was conducted in 2008–2010 to gain knowledge on the status and ecology of the endangered subspecies of grey partridge (Perdix perdix hispaniensis), at its southernmost range edge. From an historic breeding range of 28,300 ha, 15 different coveys (adults with juveniles) were observed in an area comprising 5,550 ha, with an estimated minimum autumn population size of 103–113 birds and a maximum of 163–181 birds. Spring pair density was estimated at 2.3 pairs/1,000 ha, and when considering only coveys, 6.8 partridges/1,000 ha. The majority of birds were located at an altitude above 1,690 m a.s.l., mainly in mountain shrubland (especially Calluna vulgaris and Erica spp.). Habitat loss was the most important threat for the species’ conservation. In conclusion, efforts should prioritize urgent habitat recovery and monitoring in order to change the fate of the species.