Role of stress in thin film alloy thermodynamics: Competition between alloying and dislocation formation

被引:50
作者
Thayer, GE [1 ]
Ozolins, V
Schmid, AK
Bartelt, NC
Asta, H
Hoyt, JJ
Chiang, S
Hwang, RQ
机构
[1] Sandia Natl Labs, Livermore, CA 94551 USA
[2] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA
关键词
D O I
10.1103/PhysRevLett.86.660
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Using scanning tunneling microscopy (STM) and first-principles local-spin-dsnsity-approximation calculations to stud; submonolayer films of Co1-cAgc/Ru(0001) alloys, we have discovered a novel phase-separation mechanism. When the Ag concentration c exceeds 0.4, the surface phase separates between a dislocated, pure Ag phase and a pseudomorphically strained Co0.6Ag0.4 surface alloy. We attribute the phase separation to the competition between two stress relief mechanisms: surface alloying and dislocation formation. The agreement between STM measurements and our calculated phase diagram supports this interpretation.
引用
收藏
页码:660 / 663
页数:4
相关论文
共 20 条
[1]   SPONTANEOUS FORMATION OF STRESS DOMAINS ON CRYSTAL-SURFACES [J].
ALERHAND, OL ;
VANDERBILT, D ;
MEADE, RD ;
JOANNOPOULOS, JD .
PHYSICAL REVIEW LETTERS, 1988, 61 (17) :1973-1976
[2]   STRAIN RELAXATION IN HEXAGONALLY CLOSE-PACKED METAL-METAL INTERFACES [J].
GUNTHER, C ;
VRIJMOETH, J ;
HWANG, RQ ;
BEHM, RJ .
PHYSICAL REVIEW LETTERS, 1995, 74 (05) :754-757
[3]  
HAASEN P, 1996, PHYSICAL METALLURGY, P142
[4]   NEAR-SURFACE BUCKLING IN STRAINED METAL OVERLAYER SYSTEMS [J].
HWANG, RQ ;
HAMILTON, JC ;
STEVENS, JL ;
FOILES, SM .
PHYSICAL REVIEW LETTERS, 1995, 75 (23) :4242-4245
[5]   NUCLEATION AND GROWTH OF THIN METAL-FILMS ON CLEAN AND MODIFIED METAL SUBSTRATES STUDIED BY SCANNING TUNNELING MICROSCOPY [J].
HWANG, RQ ;
GUNTHER, C ;
SCHRODER, J ;
GUNTHER, S ;
KOPATZKI, E ;
BEHM, RJ .
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1992, 10 (04) :1970-1980
[6]   AB-INITIO MOLECULAR-DYNAMICS SIMULATION OF THE LIQUID-METAL AMORPHOUS-SEMICONDUCTOR TRANSITION IN GERMANIUM [J].
KRESSE, G ;
HAFNER, J .
PHYSICAL REVIEW B, 1994, 49 (20) :14251-14269
[7]   Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186
[8]   ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].
KRESSE, G ;
HAFNER, J .
PHYSICAL REVIEW B, 1993, 47 (01) :558-561
[9]   Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) :15-50
[10]   MAGNETISM AND GROWTH OF ULTRATHIN CO FILMS GROWN EPITAXIALLY ON RU(0001) [J].
LIU, C ;
BADER, SD .
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1993, 119 (1-2) :81-86