Electronic and ground-state properties of indium iodide in the orthorhombic TlI-type structure (space group D2h17) are reported. These properties are derived from the one-particle Kohn-Sham equations in the local-density approximation. The ab initio norm-conserving nonlocal pseudopotential of Bachelet, Hamann and Schluter is used. The corresponding calculational technique is described briefly. Analytical expressions for the matrix elements are obtained. Results are presented for the valence and conduction band energies, densities of states, effective masses and charge densities. In terms of these, a consistent explanation of various experimental measurements of InI single crystals has been obtained. Furthermore, by examining the orbital character and the calculated charge densities of various states, the origin of the bonding in indium iodide has been determined.
I. V. KITYK and M. I. KOLINKO: Photostimulated Phase Transitions in High-T, SC 429 phys. stat. sol. (b) 185, 429 (1994) Subject classification: 72.60 and 74.30; 78.20; S10.15 Physical Faculty, Lviv I. Frank0 University') Photostimulated Phase Transitions in High-T, Superconductors and the Origin of the Superconductivity BY I. V. KITYK and M. I. KOLINKO The photostimulated phase transition from the semiconducting to the superconducting phase in YBa,Cu,O,-,(6 > 0.5) single crystals is revealed. The investigations are performed using the time-resolved dependences of photoresistivity, photovoltage, and optical second harmonic generation. At the same time the time-resolved Raman and UV-visible reflection spectra are monitored. A time delay between the second harmonic generation and photocurrent dependences is found. The intrinsic role of two different mechanisms in the occurrence of the photoinduced phase transition is unambiguously shown. To clarify the main features of this transition it is necessary to account for the specific electron-phonon interaction together with the existence of the Anderson metal-insulator transition. The performed band energy calculations show the essential role of photoinduced changes in the Fermi energy level location and the total density of states distribution. The intrinsic role of van Hove singularities in the formation of the superconducting gap is shown.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.