Mechanisms of self-diffusion on Pt(110)

被引:41
作者
Lorensen, HT [1 ]
Norskov, JK
Jacobsen, KW
机构
[1] Tech Univ Denmark, Ctr Atom Scale Mal Phys, DK-2800 Lyngby, Denmark
[2] Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark
来源
PHYSICAL REVIEW B | 1999年 / 60卷 / 08期
关键词
D O I
10.1103/PhysRevB.60.R5149
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The self-diffusion of Pt on the missing row reconstructed Pt(110) surface is discussed based on density functional calculations of activation energy barriers. Different competing diffusion mechanisms are considered and we show that several different diffusion paths along the reconstruction troughs are of relevance. The analysis leads to another interpretation of the recently observed double jumps at the Pt(110) surface. [S0163-1829(99)51732-3].
引用
收藏
页码:R5149 / R5152
页数:4
相关论文
共 20 条
[1]   Island morphology and adatom self-diffusion on Pt(111) [J].
Boisvert, G ;
Lewis, LJ ;
Scheffler, M .
PHYSICAL REVIEW B, 1998, 57 (03) :1881-1889
[2]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[3]   DIRECT OBSERVATIONS OF THE SURFACE-DIFFUSION OF ATOMS AND CLUSTERS [J].
EHRLICH, G .
SURFACE SCIENCE, 1991, 246 (1-3) :1-12
[4]   ENERGETICS OF PT ADSORPTION ON PT(111) [J].
FEIBELMAN, PJ ;
NELSON, JS ;
KELLOGG, GL .
PHYSICAL REVIEW B, 1994, 49 (15) :10548-10556
[5]   Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals [J].
Hammer, B ;
Hansen, LB ;
Norskov, JK .
PHYSICAL REVIEW B, 1999, 59 (11) :7413-7421
[6]   ROLE OF NONLOCAL EXCHANGE-CORRELATION IN ACTIVATED ADSORPTION [J].
HAMMER, B ;
JACOBSEN, KW ;
NORSKOV, JK .
PHYSICAL REVIEW LETTERS, 1993, 70 (25) :3971-3974
[7]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[8]   MOMENTUM-SPACE FORMALISM FOR THE TOTAL ENERGY OF SOLIDS [J].
IHM, J ;
ZUNGER, A ;
COHEN, ML .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (21) :4409-4422
[9]   Rate theory for correlated processes: Double jumps in adatom diffusion [J].
Jacobsen, J ;
Jacobsen, KW ;
Sethna, JP .
PHYSICAL REVIEW LETTERS, 1997, 79 (15) :2843-2846
[10]   A semi-empirical effective medium theory for metals and alloys [J].
Jacobsen, KW ;
Stoltze, P ;
Norskov, JK .
SURFACE SCIENCE, 1996, 366 (02) :394-402