ORIGIN OF METALLIC SURFACE CORE-LEVEL SHIFTS

被引:9
作者
ALDEN, M
SKRIVER, HL
机构
[1] TECH UNIV DENMARK,CTR ATOM SCALE MAT PHYS,DK-2800 LYNGBY,DENMARK
[2] TECH UNIV DENMARK,DEPT PHYS,DK-2800 LYNGBY,DENMARK
[3] UPPSALA UNIV,DEPT PHYS,CONDENSED MATTER THEORY GRP,S-75121 UPPSALA,SWEDEN
来源
PHYSICAL REVIEW B | 1995年 / 51卷 / 03期
关键词
D O I
10.1103/PhysRevB.51.1981
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The unique property of the open 4f energy shell in the lanthanide metals is used to show that the initial-state energy shift gives an insufficient description of surface core-level shifts. Instead a treatment, which fully includes the final-state screening, account for the experimentally observed surface shifts of the occupied as well as the unoccupied 4f states. The surface energy shift of the initial state corresponds approximately to the average of the shifts for the occupied and unoccupied 4f levels. © 1995 The American Physical Society.
引用
收藏
页码:1981 / 1984
页数:4
相关论文
共 31 条
[1]   AB-INITIO SURFACE CORE-LEVEL SHIFTS AND SURFACE SEGREGATION ENERGIES [J].
ALDEN, M ;
SKRIVER, HL ;
JOHANSSON, B .
PHYSICAL REVIEW LETTERS, 1993, 71 (15) :2449-2452
[2]   DEEP LAYER-RESOLVED CORE-LEVEL SHIFTS IN THE BERYLLIUM SURFACE [J].
ALDEN, M ;
SKRIVER, HL ;
JOHANSSON, B .
PHYSICAL REVIEW LETTERS, 1993, 71 (15) :2457-2460
[3]   SELF-CONSISTENT GREEN-FUNCTION TECHNIQUE FOR BULK AND SURFACE IMPURITY CALCULATIONS - SURFACE CORE-LEVEL SHIFTS BY COMPLETE SCREENING [J].
ALDEN, M ;
ABRIKOSOV, IA ;
JOHANSSON, B ;
ROSENGAARD, NM ;
SKRIVER, HL .
PHYSICAL REVIEW B, 1994, 50 (08) :5131-5146
[4]   EXPLICIT, 1ST-PRINCIPLES TIGHT-BINDING THEORY [J].
ANDERSEN, OK ;
JEPSEN, O .
PHYSICAL REVIEW LETTERS, 1984, 53 (27) :2571-2574
[5]   ILLUSTRATION OF THE LINEAR-MUFFIN-TIN-ORBITAL TIGHT-BINDING REPRESENTATION - COMPACT ORBITALS AND CHARGE-DENSITY IN SI [J].
ANDERSEN, OK ;
PAWLOWSKA, Z ;
JEPSEN, O .
PHYSICAL REVIEW B, 1986, 34 (08) :5253-5269
[6]   SURFACE CORE-LEVEL SPECTROSCOPY OF CU(100) AND AL(100) [J].
BAGUS, PS ;
PACCHIONI, G ;
PARMIGIANI, F .
PHYSICAL REVIEW B, 1991, 43 (06) :5172-5175
[7]   CALCULATIONS OF SURFACE CORE-LEVEL SHIFTS FOR THE LANTHANIDES [J].
BEGLEY, AM ;
JORDAN, RG ;
TEMMERMAN, WM ;
DURHAM, PJ .
PHYSICAL REVIEW B, 1990, 41 (17) :11780-11783
[8]   CORE-LEVEL BINDING-ENERGY AND DENSITY OF STATES FROM SURFACE ATOMS OF GOLD [J].
CITRIN, PH ;
WERTHEIM, GK ;
BAER, Y .
PHYSICAL REVIEW LETTERS, 1978, 41 (20) :1425-1428
[9]   PHOTOEMISSION FROM SURFACE-ATOM CORE LEVELS, SURFACE DENSITIES OF STATES, AND METAL-ATOM CLUSTERS - A UNIFIED PICTURE [J].
CITRIN, PH ;
WERTHEIM, GK .
PHYSICAL REVIEW B, 1983, 27 (06) :3176-3200
[10]   CORE-LEVEL BINDING-ENERGY SHIFTS AT SURFACES AND IN SOLIDS [J].
Egelhoff, W. F., Jr. .
SURFACE SCIENCE REPORTS, 1987, 6 (6-8) :253-415