THE SURFACE ELECTRONIC-STRUCTURE OF (1X1) PT(001)

被引：12

作者：

BENESH, GA ^{[1
]}

LIYANAGE, LSG ^{[1
]}

PINGEL, JC ^{[1
]}

机构：

[1] UNIV CAMBRIDGE,CAVENDISH LAB,CAMBRIDGE CB3 0HE,ENGLAND

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1990年 / 2卷 / 46期

关键词：

D O I：

10.1088/0953-8984/2/46/007

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The authors have performed first-principles calculations of the electronic structure of the unreconstructed metastable (1*1) Pt(001) surface using the surface embedded Green function (SEGF) method for a semi-infinite geometry. Their calculated work function of 5.9 eV is in excellent agreement with experiment. Calculated surface state and surface resonance bands are compared with those found in angle-resolved photoemission experiments and earlier slab calculations. Analysis of the charge density at the surface shows an increase in sp bonding charge which leads to a surface tension similar to that found on Au(001), and may help explain the (5*20) reconstruction.

引用

页码：9065 / 9076

页数：12

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