ORIGINS OF COMPOSITIONAL ORDER IN NIPT ALLOYS

被引:73
作者
PINSKI, FJ
GINATEMPO, B
JOHNSON, DD
STAUNTON, JB
STOCKS, GM
GYORFFY, BL
机构
[1] UNIV MESSINA,IST FIS TEOR,I-98166 MESSINA,ITALY
[2] UNIV MESSINA,CTR INTERUNIV STRUTTURA MAT,UNITA GRP NAZL STRUTTURA MAT,I-98166 MESSINA,ITALY
[3] SANDIA NATL LABS,DIV THEORET,LIVERMORE,CA 94550
[4] UNIV WARWICK,DEPT PHYS,COVENTRY CV4 7AL,W MIDLANDS,ENGLAND
[5] OAK RIDGE NATL LAB,DIV MET & CERAM,OAK RIDGE,TN 37831
[6] UNIV BRISTOL,HH WILLS PHYS LAB,BRISTOL BS8 1TL,AVON,ENGLAND
关键词
D O I
10.1103/PhysRevLett.66.766
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We investigate the cause of compositional ordering in fcc Ni0.50Pt0.50 on the basis of a first-principles theory of electronic structure and finite-temperature concentration fluctuations. We treat the size effect, electronegativity, and band filling on an equal footing and find that the first of these dominates, leading to L 1(0) ordering in agreement with experiment. An electronic origin is given for the metallurgical "rule of thumb" that alloys comprised of big atoms and little atoms tend to order into simple structures.
引用
收藏
页码:766 / 769
页数:4
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