V2O5 phase diagram revisited at high pressures and high temperatures

被引:75
作者
Balog, P. [1 ]
Orosel, D. [1 ]
Cancarevic, Z. [1 ]
Schoen, C. [1 ]
Jansen, M. [1 ]
机构
[1] Max Planck Inst Solid State Res, D-70186 Stuttgart, Germany
关键词
V2O5; phase diagrams; high pressure; crystal structure; computer simulations;
D O I
10.1016/j.jallcom.2006.04.042
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
New experiments on V2O5 have been performed using large volume high pressure and high temperature devices, to pressures up to 29 GPa and temperatures up to 1500 degrees C. Post-temperature and pressure quench, samples have been structurally analysed using X-ray diffraction and Raman spectroscopy. Data obtained confirms earlier experimental results at elevated pressures and temperatures, and reveals the stability range of the high-pressure phases far beyond the previously known region. Rietveld refinement of the delta-phase Of V2O5 shows that the phase crystallizes in space group C12/c1 (no. 15) with a = 11.9719(2) angstrom, b = 4.7017(1) angstrom, c = 5.3253(1) angstrom, beta = 104.41(0)degrees, V= 290.32(7) angstrom(3) and Z = 4. The tentative mapping of phase boundaries is also in agreement with our theoretical predictions for pressure-induced transitions at absolute zero temperature. (c) 2006 Elsevier B.V. All rights reserved.
引用
收藏
页码:87 / 98
页数:12
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