Diffusion of Pt dimers on Pt(111)

被引：24

作者：

Boisvert, G

Lewis, LJ

机构：

[1] Univ Montreal, Dept Phys, Montreal, PQ H3C 3J7, Canada

[2] Univ Montreal, Grp Rech Phys & Technol Couches Minces, GCM, Montreal, PQ H3C 3J7, Canada

[3] Hutchison Ave Software Corp, Montreal, PQ H3A 2H7, Canada

来源：

PHYSICAL REVIEW B | 1999年 / 59卷 / 15期

关键词：

D O I：

10.1103/PhysRevB.59.9846

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report the results of a density-functional study of the diffusion of Pt dimers on the (111) surface of Pt. The calculated activation energy of 0.37 eV is in exact agreement with the recent experiment of Kyuno et al. [Surf. Sci. 397, 191 (1998)]. Our calculations establish that the dimers are mobile at temperatures of interest for adatom diffusion, and thus contribute to mass transport. The diffusion path for dimers is found to consist of a sequence of concerted two-atom jumps (plus local reorientations). [S0163-1829(99)06111-1].

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页码：9846 / 9849

页数：4

相关论文

共 22 条

[1] Transitions in critical size for metal(100) homoepitaxy [J].

Bartelt, MC ;

Perkins, LS ;

Evans, JW .

SURFACE SCIENCE, 1995, 344 (1-2) :L1193-L1199

[2] Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics [J].

Bockstedte, M ;

Kley, A ;

Neugebauer, J ;

Scheffler, M .

COMPUTER PHYSICS COMMUNICATIONS, 1997, 107 (1-3) :187-222

[3] Low-symmetry diffusion barriers in homoepitaxial growth of Al(111) [J].

Bogicevic, A ;

Stromquist, J ;

Lundqvist, BI .

PHYSICAL REVIEW LETTERS, 1998, 81 (03) :637-640

[4] Al dimer dynamics on Al(111) [J].

Bogicevic, A ;

Hyldgaard, P ;

Wahnstrom, G ;

Lundqvist, BI .

PHYSICAL REVIEW LETTERS, 1998, 81 (01) :172-175

[5]

BOGICEVIC A, COMMUNICATION

[6] Island morphology and adatom self-diffusion on Pt(111) [J].

Boisvert, G ;

Lewis, LJ ;

Scheffler, M .

PHYSICAL REVIEW B, 1998, 57 (03) :1881-1889

[7] New approach for determination of diffusion parameters of adatoms [J].

Bott, M ;

Hohage, M ;

Morgenstern, M ;

Michely, T ;

Comsa, G .

PHYSICAL REVIEW LETTERS, 1996, 76 (08) :1304-1307

[8] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[9] ENERGETICS OF PT ADSORPTION ON PT(111) [J].

FEIBELMAN, PJ ;

NELSON, JS ;

KELLOGG, GL .

PHYSICAL REVIEW B, 1994, 49 (15) :10548-10556

[10] Interlayer self-diffusion on stepped Pt(111) [J].

Feibelman, PJ .

PHYSICAL REVIEW LETTERS, 1998, 81 (01) :168-171