Influence of chemical composition and magnetic effects on the elastic properties of fcc Fe-Mn alloys

被引：34

作者：

Gebhardt, T. ^{[1
]}

Music, D.

Ekholm, M. ^{[2
]}

Abrikosov, I. A. ^{[2
]}

von Appen, J. ^{[1
]}

Dronskowski, R. ^{[1
]}

Wagner, D. ^{[3
]}

Mayer, J. ^{[3
]}

Schneider, J. M.

机构：

[1] Rhein Westfal TH Aachen, Chair Solid State & Quantum Chem, D-52056 Aachen, Germany

[2] Linkoping Univ, IFM, Dept Phys Chem & Biol, SE-58183 Linkoping, Sweden

[3] Rhein Westfal TH Aachen, Cent Facil Electron Microscopy, D-52056 Aachen, Germany

来源：

ACTA MATERIALIA | 2011年 / 59卷 / 04期

关键词：

Iron alloys; Sputtering; Elastic properties; Ab initio calculations; Nanoindentation;

D O I：

10.1016/j.actamat.2010.11.013

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The influence of the Mn content on the elastic properties of face centered cubic Fe-Mn alloys was studied using the combinatorial approach. Fe-Mn thin films with a graded chemical composition were synthesized. Nanoindentation experiments were carried out to investigate the elastic properties as a function of the Mn content. As the Mn content increases from similar to 23 to similar to 39 at.%, the average bulk modulus varies from 143 to 105 GPa. Ab initio calculations served to probe the impact of magnetic effects on the elastic properties. The magnetic state description with disordered local moments yields the best agreement with the experimental results, whereas with non-magnetic and antiferromagnetic configurations the bulk modulus is overestimated. The strong impact of the magnetic configuration may be understood based on the differences in the chemical bonding and the magnetovolume effect. It is suggested that, owing to minute energy differences of competing antiferromagnetic configurations, a mixture of these with a "notional magnetic disorder" is present, which is in fact well described by the disordered local moments model. These results show that the combinatorial thin film synthesis with subsequent nanoindentation is an appropriate tool for investigating the elastic properties of Fe-Mn alloys systematically as a function of the chemical composition, to validate theoretical models. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：1493 / 1501

页数：9

共 58 条

[51] On the magnetic structure of γ-FeMn alloys [J].

Stocks, GM ;

Shelton, WA ;

Schulthess, TC ;

Ujfalussy, B ;

Butler, WH ;

Canning, A .

JOURNAL OF APPLIED PHYSICS, 2002, 91 (10) :7355-7357

[52] EFFICIENT PSEUDOPOTENTIALS FOR PLANE-WAVE CALCULATIONS [J].

TROULLIER, N ;

MARTINS, JL .

PHYSICAL REVIEW B, 1991, 43 (03) :1993-2006

[53] Origin of the Invar effect in iron-nickel alloys [J].

van Schilfgaarde, M ;

Abrikosov, IA ;

Johansson, B .

NATURE, 1999, 400 (6739) :46-49

[54] Total-energy method based on the exact muffin-tin orbitals theory [J].

Vitos, L .

PHYSICAL REVIEW B, 2001, 64 (01)

[55] Anisotropic lattice distortions in random alloys from first-principles theory [J].

Vitos, L ;

Abrikosov, IA ;

Johansson, B .

PHYSICAL REVIEW LETTERS, 2001, 87 (15) :156401-156401

[56]

VITOS L, 2000, J COMPUT MAT SCI, P24

[57] Nanomechanical property screening of combinatorial thin-film libraries by nanoindentation [J].

Warren, OL ;

Wyrobek, TJ .

MEASUREMENT SCIENCE AND TECHNOLOGY, 2005, 16 (01) :100-110

[58] SPECIAL QUASIRANDOM STRUCTURES [J].

ZUNGER, A ;

WEI, SH ;

FERREIRA, LG ;

BERNARD, JE .

PHYSICAL REVIEW LETTERS, 1990, 65 (03) :353-356

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