Element-specific quantitative determination of the local atomic order in CoPt alloy nanoparticles: Experiment and theory

被引：28

作者：

Blanc, N. ^{[1
,3
]}

Diaz-Sanchez, L. E. ^{[2
]}

Ramos, A. Y. ^{[3
,4
]}

Tournus, F. ^{[1
]}

Tolentino, H. C. N. ^{[3
,4
]}

De Santis, M. ^{[3
,4
]}

Proux, O. ^{[5
]}

Tamion, A. ^{[1
]}

Tuaillon-Combes, J. ^{[1
]}

Bardotti, L. ^{[1
]}

Boisron, O. ^{[1
]}

Pastor, G. M. ^{[2
]}

Dupuis, V. ^{[1
]}

机构：

[1] Univ Lyon 1, CNRS, UMR5306, Inst Lumiere Matiere, F-69622 Villeurbanne, France

[2] Univ Kassel, Inst Theoret Phys, D-34132 Kassel, Germany

[3] CNRS, Inst Neel, F-38042 Grenoble, France

[4] Univ Grenoble 1, F-38042 Grenoble, France

[5] Observ Sci Univ, F-38051 Grenoble, France

来源：

PHYSICAL REVIEW B | 2013年 / 87卷 / 15期

关键词：

TOTAL-ENERGY CALCULATIONS; MAGNETIC-ANISOTROPY; PHASE-TRANSITION; SIZE;

D O I：

10.1103/PhysRevB.87.155412

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An annealing-driven transition from a chemically disordered A1-like structure to a chemically ordered L1(0)-like phase has been revealed for size-selected CoPt clusters with diameters from 2 to 4 nm, from experiment to theory confrontation. For chemically ordered particles, atypical lattice-parameter ratios c/a are inferred. This ratio is found to be remarkably different depending on the approach used (c/a > 1 from x-ray absorption at the Co K edge and c/a similar or equal to 0.94 from the Pt dominated x-ray diffraction). A first-principles theoretical study accurately explains this astonishing feature and provides a detailed understanding of the element-specific local relaxations, which are crucial in these nanoalloys. DOI: 10.1103/PhysRevB.87.155412

引用

页数：5

共 43 条

[1] Ostwald Ripening in Nanoalloys: When Thermodynamics Drives a Size-Dependent Particle Composition [J].

Alloyeau, D. ;

Prevot, G. ;

Le Bouar, Y. ;

Oikawa, T. ;

Langlois, C. ;

Loiseau, A. ;

Ricolleau, C. .

PHYSICAL REVIEW LETTERS, 2010, 105 (25)

[2]

Alloyeau D, 2009, NAT MATER, V8, P940, DOI [10.1038/NMAT2574, 10.1038/nmat2574]

[3] Probing nanoscale structural and order/disorder phase transitions of supported Co-Pt clusters under annealing [J].

Andreazza, Pascal ;

Mottet, Christine ;

Andreazza-Vignolle, Caroline ;

Penuelas, Jose ;

Tolentino, Helio C. N. ;

De Santis, Maurizio ;

Felici, Roberto ;

Bouet, Nathalie .

PHYSICAL REVIEW B, 2010, 82 (15)

[4] Inhomogeneous alloying in FePt nanoparticles as a reason for reduced magnetic moments [J].

Antoniak, C. ;

Spasova, M. ;

Trunova, A. ;

Fauth, K. ;

Wilhelm, F. ;

Rogalev, A. ;

Minar, J. ;

Ebert, H. ;

Farle, M. ;

Wende, H. .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2009, 21 (33)

[5] Interface Effects on the Magnetism of CoPt-Supported Nanostructures [J].

Barcaro, Giovanni ;

Sementa, Luca ;

Negreiros, Fabio R. ;

Ferrando, Riccardo ;

Fortunelli, Alessandro .

NANO LETTERS, 2011, 11 (12) :5542-5547

[6] EXAFS as a tool to interrogate the size and shape of mono and bimetallic catalyst nanoparticles [J].

Beale, Andrew M. ;

Weckhuysen, Bert M. .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2010, 12 (21) :5562-5574

[7] Measuring the L10 chemical order parameter of a single CoPt nanoparticle smaller than 4 nm [J].

Blanc, Nils ;

Tournus, Florent ;

Dupuis, Veronique .

PHYSICAL REVIEW B, 2011, 83 (09)

[8] IMPROVED TETRAHEDRON METHOD FOR BRILLOUIN-ZONE INTEGRATIONS [J].

BLOCHL, PE ;

JEPSEN, O ;

ANDERSEN, OK .

PHYSICAL REVIEW B, 1994, 49 (23) :16223-16233

[9] Magnetic anisotropy of L10 FePt and Fe1-xMnxPt -: art. no. 134411 [J].

Burkert, T ;

Eriksson, O ;

Simak, SI ;

Ruban, AV ;

Sanyal, B ;

Nordström, L ;

Wills, JM .

PHYSICAL REVIEW B, 2005, 71 (13)

[10] Electronic and magnetic properties of bimetallic L10 cuboctahedral clusters by means of fully relativistic density-functional-based calculations [J].

Cuadrado, R. ;

Chantrell, R. W. .

PHYSICAL REVIEW B, 2012, 86 (22)

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