Reference

Thermodynamics of evaporation of sodium pyrophosphate and sodium and lithium orthophosphates

Thermodynamics of evaporation of sodium pyrophosphate and sodium and lithium orthophosphates. Steblevskii, A. V.; Alikhanyan, A. S.; Sokolova, I. D.; Gorgoraki, V. I. (Inst. Obshch. Neorg. Khim. im. Kurnakova, Moscow, USSR). Zh. Neorg. Khim., 23(2), 309-15 (Russian) 1978. CODEN: ZNOKAQ. ISSN: 0044-457X. DOCUMENT TYPE: Journal CA Section: 69 (Thermodynamics, Thermochemistry, and Thermal Properties) The sublimation of Na4P2O7 [7722-88-5] and M3PO4 (M = Na, Li) was studied by Knudsen effusion method and mass spectral anal. Na4P2O7 sublimes incongruently, whereas M3PO4 sublimes congruently in agreement with M3PO4(s) = 2M(g) + MPO3(g) + 0.5 O2. The partial pressures of satd.-vapor components are presented. From temp. dependence of the ion current intensities, the calcd. heats of sublimation of Li3PO4 [10377-52-3] and Na3PO4 [7601-54-9] are 336.4 ± 7.5 and 285.2 ± 7.0 kcal/mol, resp.

Electronic structure of second harmonic generation crystal Li3VO4

Electronic structure of second harmonic generation crystal Li3VO4.Some chemicals with cas registry numbers like 10377-52-3 and 15593-56-3 are also used. Sakata, S.; Nagoshi, Y.; Nii, H.; Ueda, N.; Kawazoe, H. (Ube Research Lab., Ube Industries, Ltd., Ube 755, Japan). Journal of Applied Physics, 80(7), 3668-3673 (English) 1996 American Institute of Physics. CODEN: JAPIAU. ISSN: 0021-8979. DOCUMENT TYPE: Journal CA Section: 73 (Optical, Electron, and Mass Spectroscopy and Other Related Properties) The origin of 2nd harmonic generation (SHG) of Li3VO4 was studied from the viewpoint of the band structure by using the tight-binding method. The tight-binding parameters were optimized to reproduce the d. of states (DOS) obtained from XPS and the optical band gap. Although Li3PO4 has the same crystal structure as Li3VO4, it shows no SHG. To explain the difference in optical nonlinearity the authors compared the electronic structures of Li3VO4 and Li3PO4, in particular at the bottom of conduction band (CB) and the top of valence band (VB), since they are known to play a primary role in SHG. In Li3PO4, the bottom of CB consists of P 3s and O 2p orbitals and the top of VB is composed of O 2p orbitals. These electronic structures result in a relatively low DOS at the bottom of CB and a wide band gap in Li3PO4. However, in Li3VO4, both bottom of CB and top of VB are composed of V 3d and O 2p. The preferential contribution of V 3d orbitals to the band edge states leads to a high DOS at the bottom of CB, a narrow band gap and delocalization of electrons on V-O bonds. These electronic structures are responsible for the high optical-nonlinearity of Li3VO4. .