Electronic and Optical Properties of AuAl₂ and PtAl₂

Abstract

Electronic energy bands of two isostructural intermetallic compounds, AuAI, and PtAl,, are calculated using the composite wave variational version of the APW method. The crystal potential is constructed by superposition of the atomic potential of Herman and Skillman. A comparative study between the 9d noble metal system (PtAI,) and the 10d noble metal system (AuAl,) is attempted. From the band structure data, density of states, joint density of states, E~( w ) spectra and the Fermi surfaces are worked out. Results are interpreted in the light of band structure data and compared and correlated with available experimental results.Mit der Komposit-Wellenvariationsversion der APW-Methode werden die Elektronenenergiebander der beiden isostrukturellen intermetallischen Verbindungen AuAl, und PtA1, berechnet. Das Kristallpotential wird durch uberlagerung des Atompotentials von Herman und Skillman konstruiert. Eine vergleichende Untersuchung zwischen dem 9d-Edelmetallsystem (PtAI,) und dem l0d-Edelmetallsystem (AuAI,) wird durchgefuhrt. Aus den Bandstrukturdaten werden die Zustandsdichte, die verbundene Zustandsdichte, die &,(a)-Spektren und die Fermiflachen bestimmt. Die Ergebnisse werden im Licht der Bandstrukturdaten interpretiert und verglichen und mit verfugbaren experimentellen Ergebnissen korreliert.') 33/1 Raja Rammohan Sarani, Calcutta 700009, India.

Myoglobin-enhanced oxygen delivery to isolated cardiac mitochondria

“…wet mass tissue (Gupta et al, 1983;Murphy et al, 1989;Gupta and Wittenberg, 1991), and is not sufficient to stimulate state IV respiration significantly.…”

Experimental and theoretical study of the electronic structure of AuAl2

“…There are three non-relativistic band-structure calculations for AuAl 2 . Two of them were performed using ®rstprinciples augmented-plane-wave (APW) method with the muf®n-tin potential approximation [1,3], and the other was done by the mixed-basis band-structure interpolation scheme (MBBSIS) [2]. The latter calculation was found to give agreement between the calculated total density of states (DOS) and the XPS data [7].…”

Localized surface plasmons in platinum aluminide semi-shells

“…One attraction of PtAl 2 is its resistance to oxidation and corrosion: for this reason it has attracted consideration for use in jewelry [20,21] and is well known as a component in oxidation-resistant coatings on jet engine turbine blades [22,23]. Its dielectric function has been reported by various workers [24][25][26] (supplementary data, figure S1 is available online at stacks.iop.org/NANOF/3/015003/mmedia) and is similar to that of TiN prepared by magnetron sputtering onto a heated substrate. Since TiN has already been shown experimentally to have potential use in plasmonic devices [12,13], it is reasonable to expect that PtAl 2 might have too.…”