Experimental and theoretical study of lattice relaxation around refractory atoms in nickel

被引：17

作者：

Koteski, V. ^{[1
,2
]}

Mahnke, H. -E. ^{[2
,3
]}

Belosevic-Cavor, J. ^{[1
]}

Cekic, B. ^{[1
]}

Schumacher, G. ^{[2
]}

机构：

[1] Inst Nucl Sci Vinca, Belgrade 11001, Serbia

[2] Bereich SF, Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany

[3] Free Univ Berlin, Fachbereich Phys, D-14195 Berlin, Germany

来源：

ACTA MATERIALIA | 2008年 / 56卷 / 17期

关键词：

Extended X-ray absorption fine structure (EXAFS; XANES); Nickel alloys; Augmented plane wave method (FLAPW);

D O I：

10.1016/j.actamat.2008.05.015

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The lattice relaxation around Mo, Ru, Hf, Ta, W and Re in Ni is investigated by means of X-ray absorption spectroscopy. For all of the investigated concentrations the substitutional lattice position is confirmed except for the higher Hf concentration where different phases are observed. Ail outward relaxation of the neighboring atoms is detected with clear trends of increasing nearest neighbor distances with decreasing valence for the 5d impurities, and separate trends for the 4d impurities. Ab initio supercell calculations within the linearized augmented plane wave formalism are used to complement the experimental results and allow for a better interpretation of the experimental trends in terms of the electronic structure of the impurity. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：4601 / 4607

页数：7

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