Short-range order and phase stability of surface alloys: PdAu on Ru(0001)

被引：41

作者：

Sadigh, B ^{[1
]}

Asta, M ^{[1
]}

Ozolins, V ^{[1
]}

Schmid, AK ^{[1
]}

Bartelt, NC ^{[1
]}

Quong, AA ^{[1
]}

Hwang, RQ ^{[1
]}

机构：

[1] Sandia Natl Labs, Livermore, CA 94551 USA

来源：

PHYSICAL REVIEW LETTERS | 1999年 / 83卷 / 07期

关键词：

D O I：

10.1103/PhysRevLett.83.1379

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Structural and thermodynamic properties of thermally equilibrated Pd-Au/Ru(0001) surface alloys are studied within the framework of lattice models based upon first-principles total energy calculations and scanning-tunneling-microscopy imaging of atomic structure. Pd-rich alloys form pseudomorphic solid-solution phases with pronounced chemical short-range order (SRO), consistent with the prediction of a low-temperature order-disorder transition to a (root 3 x root 3)-R30 degrees ground state structure. Calculated and measured SRO parameters are found to be in excellent agreement and are quantitatively described by a lattice-model Hamiltonian dominated by short-ranged interactions.

引用

页码：1379 / 1382

页数：4

共 23 条

[1] SURFACE CRYSTALLOGRAPHY OF 3 CATALYTICALLY IMPORTANT STRUCTURES IN THE AU(111)-PD SYSTEM [J].