材料期刊网

We report a first-principles study of the structure and phase transition of Ce(x)Th(1-x) (x = 0.0, 0.2, 0.43, 0.5, 0.6, 0.76 and 1.00) alloys. The structural properties of Ce(x)Th(1-x) under pressure are well predicted. The fcc-bct (face-centered cubic to body-centered tetragonal) transition pressure decreases with the increasing Ce concentration in Ce(x)Th(1-x). The transition pressure as a function of the Ce concentration of the Ce(x)Th(1-x) alloys can be well described as a second-order polynomial: P = 70.00 - 32.08x - 22.93x(2). (C) 2010 Elsevier Ltd. All rights reserved.