相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Algorithm for generating derivative structures
Gus L. W. Hart et al.
PHYSICAL REVIEW B (2008)
Ab initio prediction of ordered ground-state structures in ZrO2-Y2O3
A. Predith et al.
PHYSICAL REVIEW B (2008)
Structure and stability of a homologous series of tin oxides
Atsuto Seko et al.
PHYSICAL REVIEW LETTERS (2008)
Cluster expansions in multicomponent systems:: precise expansions from noisy databases
Alejandro Diaz-Ortiz et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2007)
First-principles thermodynamics of coherent interfaces in samarium-doped ceria nanoscale superlattices
A. van de Walle et al.
PHYSICAL REVIEW LETTERS (2007)
First-principles study of cation disordering in MgAl2O4 spinel with cluster expansion and Monte Carlo simulation
A Seko et al.
PHYSICAL REVIEW B (2006)
Using genetic algorithms to map first-principles results to model Hamiltonians: Application to the generalized Ising model for alloys
V Blum et al.
PHYSICAL REVIEW B (2005)
Evolutionary approach for determining first-principles hamiltonians
GLW Hart et al.
NATURE MATERIALS (2005)
Reliable first-principles alloy thermodynamics via truncated cluster expansions
NA Zarkevich et al.
PHYSICAL REVIEW LETTERS (2004)
Mixed-basis cluster expansion for thermodynamics of bcc alloys
V Blum et al.
PHYSICAL REVIEW B (2004)
Ordering tendencies in octahedral MgO-ZnO alloys
M Sanati et al.
PHYSICAL REVIEW B (2003)
Phase transformations and volume changes in spinel LixMn2O4
A Van der Ven et al.
SOLID STATE IONICS (2000)