Theoretical study on the excited states of psoralen compounds bonded to a thymine residue

Time-dependent density functional theory calculations have been performed for the excited states of psoralen, 5-methoxypsoralen, and 8-methoxypsoralen in systems and furan and pyrone monoadducts bonded to a thymine residue. The theoretical assignments to ultraviolet (UV) absorption spectra of isolated systems have been performed. The present calculations have clarified that the excitation energies of the first singlet excited (S1) state of monoadducts are blue-shifted compared with the isolated systems. It is shown that, in particular, the S1 excitation energy of the pyrone monoadduct is significantly blue-shifted and, therefore, the pyrone monoadduct is not excited by UV-A light (300-400 nm), which is used in the photochemotherapy.     

Holon kinetic energy in the RVB state

We have used a low energy variational RVB wave function to evaluate the kinetic energy of holons in the dilute limit. We report results on a 5×5 cluster; from the first 8 moments of the density of states, we estimate a lower band edge for the holon, which is fairly insensitive to details of the RVB wave function. This band edge is higher than the corresponding one for a hole in the Néel state, by about 0.08t, in the limitU/t.     

Angle-resolved ultraviolet photoemission study of first stage alkali-metal graphite intercalation compounds

The electronic band structure of the first stage alkali-metal graphite intercalation compounds (C₈K, C₈Rb and C₈Cs) was determined by angle-resolved ultraviolet photoelectron spectroscopy. The dispersive feature of the ^* bands at point in the Brillouin zone was clearly observed in all the compounds. The electron occupancies in the ^* band of C₈K, C₈Rb and C₈Cs were estimated to be 0.5±0.05 e (e; unit electronic charge), 0.45±0.05 e and 0.4±0.05 e, respectively. This strongly suggests that another half of the unit electronic charge is accommodated in the three-dimensional band at point, which forms a spherical Fermi surface at the center of the Brillouin zone. The character of the three-dimensional band at point was also discussed.He died on 27th of September, 1986     

Anisotropic low-temperature heat transport in YBa2Cu3O6.9 single crystal

We report measurements of the low-temperature thermal conductivity of YBa₂Cu₃O_7– (0.1) single crystals (T _c =84 K) both parallel ( ^{a, b} ) and perpendicular ( ^c ) to the CuO₂ planes. Whereas ^c (T) is found to be identical, within experimental resolution, with the phonon contribution _ph (T), ^{a, b} (T) contains an additional term linear in temperature,AT. We ascribeAT to the contribution of unpaired electronic carriers residing in the chain layers. Measurements performed in external magnetic fieldsB8 T support this interpretation. Our observations can be explained by an internal multilayer (IML) model in which it is assumed that strong superconductivity is generated within the CuO₂ layers and weak superconductivity is induced in the chain layers by the proximity effect. The fit of the experimental results to the IML model reveals that approximately 15% of the electronic carriers remain unpaired in YBa₂Cu₃O₇ belowT=1 K.