SELF-CONSISTENT METHOD FOR THE CALCULATION OF SURFACE ELECTRONIC-STRUCTURE AND ITS APPLICATION TO CU(110)

Authors
YANG CK CHENG YC DY KS WU SY
Citation
Ck. Yang et al., SELF-CONSISTENT METHOD FOR THE CALCULATION OF SURFACE ELECTRONIC-STRUCTURE AND ITS APPLICATION TO CU(110), Physical review. B, Condensed matter, 52(15), 1995, pp. 10803-10806
Citations number
31
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
52
Issue
15
Year of publication
1995
Pages
10803 - 10806
Database
ISI
SICI code
0163-1829(1995)52:15<10803:SMFTCO>2.0.ZU;2-4
Abstract
We develop a real-space method for the calculation of surface electron ic structure. The approach is based on the linear muffin-tin orbitals and recursive Green's-function methods and can achieve self-consistenc y efficiently. As an application, the local density of states of Cu(11 0) atoms is calculated. The charge transfer between layers close to th e surface is presented. We also derive the work function, which is in good agreement with experimental values.