Determination of charge transfer in the CuxPd1-x alloy system

被引:53
作者
Cole, RJ [1 ]
Brooks, NJ [1 ]
Weightman, P [1 ]
机构
[1] UNIV LIVERPOOL, SURFACE SCI RES CTR, LIVERPOOL L69 3BX, MERSEYSIDE, ENGLAND
来源
PHYSICAL REVIEW B | 1997年 / 56卷 / 19期
关键词
D O I
10.1103/PhysRevB.56.12178
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Measurements of the core-level binding energies and Auger kinetic energies of Cu and Pd in substitutionally disordered CuxPd1-x alloys are analyzed in terms of the ''correlated-charge model'' (CCM), in which it is assumed that the charge on an atomic site is linearly dependent on its number of ''unlike'' nearest neighbors. This model has recently led to significant improvements in calculated total energies for random alloys. It is found that the measured core-level binding-energy shifts in the CuxPd1-x alloy system are consistent with the average electrostatic potential of the random CCM lattice, given the degree of charge transfer predicted by ab initio calculations. We show experimentally that final-state relaxation energy shifts are small.
引用
收藏
页码:12178 / 12182
页数:5
相关论文
共 32 条
  • [1] ABINITIO CALCULATIONS OF THE ELECTRONIC TOPOLOGICAL TRANSITION IN LI-MG ALLOYS
    ABRIKOSOV, IA
    VEKILOV, YH
    KORZHAVYI, PA
    RUBAN, AV
    SHILKROT, LE
    [J]. SOLID STATE COMMUNICATIONS, 1992, 83 (11) : 867 - 870
  • [2] ONSET OF D-SCREENING IN ALKALI AND ALKALINE-EARTHS
    COLE, RJ
    BROOKS, NJ
    WEIGHTMAN, P
    MATTHEW, JAD
    [J]. PHYSICAL REVIEW B, 1995, 52 (04): : 2976 - 2982
  • [3] Madelung potentials in disordered systems
    Cole, RJ
    Weightman, P
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (26) : 5609 - 5622
  • [4] Madelung potentials and disorder broadening of core photoemission spectra in random alloys
    Cole, RJ
    Brooks, NJ
    Weightman, P
    [J]. PHYSICAL REVIEW LETTERS, 1997, 78 (19) : 3777 - 3780
  • [5] BINDING-ENERGIES AND CHEMICAL-SHIFTS IN ESCA
    GELIUS, U
    [J]. PHYSICA SCRIPTA, 1974, 9 (03) : 133 - 147
  • [6] ATOMIC-STRUCTURE CALCULATIONS FOR THE ANALYSIS OF AUGER PARAMETERS OF ELEMENT-K TO KR
    GREGORY, DAC
    LAINE, AD
    FOWLES, PS
    TAKAHASHI, A
    WEIGHTMAN, P
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 1993, 5 (23) : 3843 - 3850
  • [7] GYORFFY BL, 1994, ALLOY PHASE STABILIT, P293
  • [8] JOHNSON DD, 1994, NATO ADV SCI INST SE, V256, P149
  • [9] INCLUSION OF CHARGE CORRELATIONS IN CALCULATIONS OF THE ENERGETICS AND ELECTRONIC-STRUCTURE FOR RANDOM SUBSTITUTIONAL ALLOYS
    JOHNSON, DD
    PINSKI, FJ
    [J]. PHYSICAL REVIEW B, 1993, 48 (16): : 11553 - 11560
  • [10] The effect of final state screening changes on alloy energy shifts
    Kleiman, GG
    Landers, R
    [J]. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1995, 76 : 319 - 323