Cluster expansion technique:: An efficient tool to search for ground-state configurations of adatoms on plane surfaces -: art. no. 035418

被引:29
作者
Drautz, R [1 ]
Singer, R [1 ]
Fähnle, M [1 ]
机构
[1] Max Planck Inst Met Res, D-70569 Stuttgart, Germany
来源
PHYSICAL REVIEW B | 2003年 / 67卷 / 03期
关键词
D O I
10.1103/PhysRevB.67.035418
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The cluster expansion technique is applied to describe the energetics of adatom configurations on plane substrate surfaces at submonolayer coverage and to find the stable configuration in thermodynamic equilibrium. The power of the method is demonstrated for the case of Li adatoms on Mo(112).
引用
收藏
页数:4
相关论文
共 22 条
[1]   Atomic scale memory at a silicon surface [J].
Bennewitz, R ;
Crain, JN ;
Kirakosian, A ;
Lin, JL ;
McChesney, JL ;
Petrovykh, DY ;
Himpsel, FJ .
NANOTECHNOLOGY, 2002, 13 (04) :499-502
[2]   Phase diagrams of lithium transition metal oxides: investigations from first principles [J].
Ceder, G ;
Van der Ven, A .
ELECTROCHIMICA ACTA, 1999, 45 (1-2) :131-150
[3]   Spontaneous L12 order at Ni90Al10(110) surfaces:: An X-ray and first-principles-calculation study -: art. no. 236102 [J].
Drautz, R ;
Reichert, H ;
Fähnle, M ;
Dosch, H ;
Sanchez, JM .
PHYSICAL REVIEW LETTERS, 2001, 87 (23) :236102-1
[4]   Phase transitions in the adsorption system Li/Mo(112) [J].
Fedorus, A ;
Kolthoff, D ;
Koval, V ;
Lyuksyutov, I ;
Naumovets, AG ;
Pfnür, H .
PHYSICAL REVIEW B, 2000, 62 (04) :2852-2861
[5]   EMBEDDED-ATOM METHOD COMPUTATIONS OF STRUCTURAL AND DYNAMICAL PROPERTIES OF CU AND AG CLUSTERS ADSORBED ON PD(110) AND PD(100) - EVOLUTION OF THE MOST STABLE GEOMETRIES VERSUS CLUSTER-SIZE [J].
FERNANDEZ, P ;
MASSOBRIO, C ;
BLANDIN, P ;
BUTTET, J .
SURFACE SCIENCE, 1994, 307 :608-613
[6]   Island nucleation in thin-film epitaxy: A first-principles investigation [J].
Fichthorn, KA ;
Scheffler, M .
PHYSICAL REVIEW LETTERS, 2000, 84 (23) :5371-5374
[7]   A kinetic Monte Carlo investigation of island nucleation and growth in thin-film epitaxy in the presence of substrate-mediated interactions [J].
Fichthorn, KA ;
Merrick, ML ;
Scheffler, M .
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 2002, 75 (01) :17-23
[8]   Ferromagnetism in one-dimensional monatomic metal chains [J].
Gambardella, P ;
Dallmeyer, A ;
Maiti, K ;
Malagoli, MC ;
Eberhardt, W ;
Kern, K ;
Carbone, C .
NATURE, 2002, 416 (6878) :301-304
[9]   Magnetic nanostructures [J].
Himpsel, FJ ;
Ortega, JE ;
Mankey, GJ ;
Willis, RF .
ADVANCES IN PHYSICS, 1998, 47 (04) :511-597
[10]  
Kiejna A, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.085407