Dynamical properties of ordered Fe-Pt alloys

被引:24
作者
Sternik, M. [1 ]
Couet, S. [2 ]
Lazewski, J. [1 ]
Jochym, P. T. [1 ]
Parlinski, K. [1 ]
Vantomme, A. [2 ]
Temst, K. [2 ]
Piekarz, P. [1 ]
机构
[1] Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland
[2] Katholieke Univ Leuven, Inst Kern & Stralingsfys, B-3001 Leuven, Belgium
关键词
Ordered Fe-Pt alloys; First principle calculations; Inelastic neutron scattering; Phonons; Phase transitions; MARTENSITIC PHASE-TRANSITION; LATTICE-DYNAMICS; FE3PT; TRANSFORMATION;
D O I
10.1016/j.jallcom.2015.08.097
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The structure, magnetic properties, and lattice dynamics of ordered Fe-Pt alloys with three stoichiometric compositions, Fe3Pt, FePt and FePt3, have been investigated using the density functional theory. Additionally, the existing experimental data have been complemented by new measurements of the Fe projected phonon density of states performed for the Fe3Pt and FePt3 thin films using the nuclear inelastic scattering technique. The calculated phonon dispersion relations and phonon density of states have been compared with the experimental data. The dispersion curves are very well reproduced by the calculations, although, the softening of the transversal acoustic mode TA(1) leads to some discrepancy between the theory and experiment in Fe3Pt. A very good agreement between the measured spectra and calculations performed for the tetragonal structure derived from the soft mode may signal that the tetragonal phase with the space group P4/mbm plays an important role in the martensitic transformation observed in Fe3Pt. For FePt3, the antiferromagnetic order appearing with decreasing temperature has been also investigated. The studies showed that the phonon density of states of FePt3 very weakly depends on the magnetic configuration. (C) 2015 Elsevier B.V. All rights reserved.
引用
收藏
页码:528 / 536
页数:9
相关论文
共 42 条
[1]  
[Anonymous], IRON BINARY PHASE DI
[2]   Electronic structure and x-ray magnetic circular dichroism in Cu3Au-type transition metal platinum alloys -: art. no. 024402 [J].
Antonov, VN ;
Harmon, BN ;
Yaresko, AN .
PHYSICAL REVIEW B, 2001, 64 (02)
[3]   CHEMICAL AND MAGNETIC ORDER IN PLATINUM-RICH PT+FE ALLOYS [J].
BACON, GE ;
CRANGLE, J .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1963, 272 (1350) :387-+
[4]   The magnetic structure of exchange coupled FePt/FePt3 thin films [J].
Couet, S. ;
Demeter, J. ;
Menendez, E. ;
Rueffer, R. ;
Kinane, C. J. ;
Laenens, B. ;
Teichert, A. ;
Tripathi, S. ;
Almeida, F. ;
Vantomme, A. ;
Temst, K. .
JOURNAL OF APPLIED PHYSICS, 2013, 113 (01)
[5]   Anisotropic lattice dynamics of FePt L10 thin films [J].
Couet, S. ;
Sternik, M. ;
Laenens, B. ;
Siegel, A. ;
Parlinski, K. ;
Planckaert, N. ;
Groestlinger, F. ;
Chumakov, A. I. ;
Rueffer, R. ;
Sepiol, B. ;
Temst, K. ;
Vantomme, A. .
PHYSICAL REVIEW B, 2010, 82 (09)
[6]  
FOOS M, 1978, SCRIPTA METALL MATER, V12, P795, DOI 10.1016/0036-9748(78)90038-8
[7]   Atom cluster and vibrational excitations in chemically-disordered Pt357Fe [J].
Fultz, B ;
Stephens, TA ;
Alp, EE ;
Hu, MY ;
Sutter, JP ;
Toellner, TS ;
Sturhahn, W .
PHYSICAL REVIEW B, 2000, 61 (21) :14517-14522
[8]   Lattice dynamics and structural stability of ordered Fe3Ni, Fe3Pd and Fe3Pt alloys using density functional theory [J].
Gruner, M. E. ;
Adeagbo, W. A. ;
Zayak, A. T. ;
Hucht, A. ;
Entel, P. .
PHYSICAL REVIEW B, 2010, 81 (06)
[9]   Magnetism of FePt Surface Alloys [J].
Honolka, J. ;
Lee, T. Y. ;
Kuhnke, K. ;
Enders, A. ;
Skomski, R. ;
Bornemann, S. ;
Mankovsky, S. ;
Minar, J. ;
Staunton, J. ;
Ebert, H. ;
Hessler, M. ;
Fauth, K. ;
Schuetz, G. ;
Buchsbaum, A. ;
Schmid, M. ;
Varga, P. ;
Kern, K. .
PHYSICAL REVIEW LETTERS, 2009, 102 (06)
[10]   Ab initio calculations of magnetic structure and lattice dynamics of Fe/Pt multilayers [J].
Jochym, P. T. ;
Parlinski, K. ;
Oles, A. M. .
EUROPEAN PHYSICAL JOURNAL B, 2008, 61 (02) :173-179