Electrons per atom ratio determination and Hume-Rothery electron concentration rule for P-based polar compounds studied by FLAPW-fourier calculations.

The extent to which reliable electrons per atom ratio, e/a, are determined and the validity of the Hume-Rothery stabilization mechanism are ensured upon increasing ionicity are studied by applying first-principles full potential linearized augmented plane wave (FLAPW)-Fourier band calculations to as many as 59 binary compounds formed by adding elements from periods 2-6 to phosphorus in group 15 of the Periodic Table. Van Arkel-Ketelaar triangle maps were constructed both by using the Allen electronegativity data and by using an energy difference between the center-of-gravity energies of FLAPW-derived s and p partial densities of states (DOSs) for the equiatomic compounds studied. The determination of e/a and the test of the interference condition, both of which play a key role in the Hume-Rothery stabilization mechanism, were reliably made for all intermetallic compounds, as long as the ionicity is less than 50%. In the A-P (A = Li, Na, K, Rb, and Cs) compounds with ionicity exceeding 50%, however, e/a determination becomes unstable, as reflected in its P concentration dependence. New Hume-Rothery electron concentration rules were theoretically found in two families of polar compounds: skutterudite compounds TMP(3), TMAs(3), and TMSb(3) (TM = Co, Ni, Rh, and Ir; cI32) with e/a = 4.34 and TM(3)P (TM = Cr, Mn, Fe, and Ni; tI32) with e/a = 2.20.

Structure determination of structurally complex Ag36Li64 gamma-brass.

The crystal structure of the Ag(36)Li(64) gamma-brass was determined by analyzing the powder diffraction pattern taken using a synchrotron radiation beam with wavelength 0.50226 A. It turned out that the compound contained 52 atoms in its unit cell with the space group I43m and that the Li atom enters exclusively into inner tetrahedral (IT) and cubo-octahedral (CO) sites, whereas the Ag atom enters into those on outer tetrahedral (OT) and octahedral (OH) sites in the 26-atom cluster. Small amounts of Li also exist in OT and OH sites, resulting in chemical disorder. We discovered that the volumes of the IT and CO polyhedra shrink, while those of the OT and OH polyhedra expand relative to those of the corresponding polyhedra in the original b.c.c. (body-centered cubic) structure. This feature is universal and is found in other gamma-brasses such as Cu(5)Zn(8) and Al(8)V(5), for which the structure data are available. Among these gamma-brasses, we revealed the unique bond-length distribution for pairs connecting the atom on OH sites and that on CO sites, depending on the degree of d-p orbital hybridization between the transition metal elements such as Ag, Cu and V on OH sites, and the non-transition metal elements such as Li, Zn and Al on CO sites. It is suggested that this may hold a clue to resolving why some gamma-brasses such as the present Ag-Li and Cu-Zn possess a finite solid solution, but others such as Al(8)V(5) and Mn(3)In exist as line compounds.

Measurement of the Q value of an acoustic resonator.

A cylindrical acoustic resonator was externally driven at the first resonance frequency by a compression driver. The acoustic energy stored in the resonator and the power dissipated per unit time were evaluated through the simultaneous measurements of acoustic pressure and velocity, in order to determine the Q value of the resonator. The resulting Q value, being employed as a measure of the damping in a resonator, was obtained as 36. However, the Q value determined from a frequency response curve known as a conventional technique turned out to be 25, which is 30% less than that obtained in the present method. By further applying these two methods in the case of a resonator having an acoustic load inside, we present an accurate measurement of the Q value of the resonator by making full use of its definition.

Experimental demonstration of thermoacoustic energy conversion in a resonator.

Using thermoacoustic energy conversions, both amplification and damping of acoustic intensity are demonstrated. A differentially heated regenerator is installed near the velocity node of the resonator and thereby a high specific acoustic impedance and a traveling wave phase are obtained. It is shown that the gain of acoustic intensity resulting from the traveling wave energy conversion reaches 1.7 in a positive temperature gradient and 0.3 in a negative gradient. When the regenerator is replaced with a stack, it is found that the gain reaches 2.3, exceeding the temperature ratio (=1.9) of both ends of the stack. This is brought about by the addition of standing wave energy conversion. The present results would contribute to the development of new acoustic devices using thermoacoustic energy conversion.

High-resolution photoelectron spectroscopy of Heusler-type Fe(2)VAl alloy.

The electronic structure of Heusler-type Fe(2)VAl has been studied by high-resolution photoelectron spectroscopy with the excitation photon energy hnu ranging from 21.2 eV (the He I laboratory light source) to 904 eV (the soft X-ray synchrotron light source) for clean surfaces prepared by scraping or fracturing polycrystalline and single crystalline specimens. Photoelectron spectra recorded for the fractured surfaces show a 10 eV-wide valence band with fine structures and a clear decrease in the intensity towards the Fermi level E(F), while a high intensity at E(F) and no fine structures are observed for the scraped surface. Comparison with the theoretical density of states (DOS) indicates that the vacuum ultraviolet photoelectron spectra emphasize the transition-metal 3d bands but the soft X-ray photoelectron spectra agree remarkably well with the DOS including the fine structures and the pseudogap at E(F). The present results suggest that the electronic structure of Fe(2)VAl is highly sensitive to possible strain and defects induced by scraping. Bulk electronic structures of Fe(2)VAl are discussed in relation to the reported fascinating transport properties.