We obtain the band edge eigenstates and the mid-band states for the complex, PT-invariant generalized associated Lamé potentials V PT (x) = −a(a + 1)m sn2(y,m) − b(b + 1)m sn2(y +K(m),m) − f(f+1)m sn2(y +K(m) + iK (m),m)−g(g+1)m sn2(y + iK (m),m), where y ≡ ix+β, and there are four parameters a, b, f, g. This work is a substantial generalization of previous work with the associated Lamé potenti...

The correlation of the electronic band structure with the photocatalytic activity of AgTaO3 has been studied by simulation and experiments. Doping wide band gap oxide semiconductors usually introduces discrete mid-gap states, which extends the light absorption but has limited benefit for photocatalytic activity. Density functional theory (DFT) calculations show that compensated co-doping in AgT...

The results of electronic structure calculations for PbF2 in ambient and highpressure phases are reported here. We employ the linear combination of atomic orbital-density functional theory approximation using the CRYSTAL program package whose capabilities were expanded to include the so-called soft-core pseudopotentials with higher-order components (e.g. d, f, and g) of the angular momentum ter...

The I(2)(D'-A') luminescence in liquid C(7)F(16), C(8)F(18), C(9)F(20), and C(12)F(26) has been observed following irradiation with visible (within the I(2) X → B band region) and UV (λ < 300 nm) lasers. The band is shifted by ~2000 cm(-1) to the red relative to the gas phase and is significantly broader (fwhm ≈ 3000 cm(-1) vs 500 cm(-1) in the gas phase). Two-color excitation of other halogens...