Local structure study of Fe dopants in Ni-deficit Ni3Al alloys

JOURNAL OF ALLOYS AND COMPOUNDS

卷:651

Article

Ivanovski, V. N.¹  Umicevic, A.¹  Belosevic-Cavor, J.¹  Lei, Hechang²  Li, Lijun²  Cekic, B.¹  Koteski, V.¹  Petrovic, C.² 

[1] Univ Belgrade, Vinca Inst Nucl Sci, Lab Nucl & Plasma Phys, Belgrade 11001, Serbia

[2] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA

关键词: Intermetallics;    Electronic properties;    Hyperfine interactions;    Mossbauer spectroscopy;    X-ray diffraction;   

DOI  :  10.1016/j.jallcom.2015.08.171

来源: Elsevier

【 摘 要 】

The local electronic and magnetic structure, hyperfine interactions, and phase composition of polycrystalline Ni-deficient Ni3-xFexAl (x = 0.18 and 0.36) were investigated by means of Fe-57 Mossbauer spectroscopy. The samples were characterized by X-ray diffraction and magnetization measurements. The ab initio calculations performed with the projector augmented wave method and the calculations of the energies of iron point defects were done to elucidate the electronic structure and site preference of Fe doped Ni3Al. The value of calculated electric field gradient tensor V-zz = 1.6 10(21) Vm(-2) matches well with the results of Mossbauer spectroscopy and indicates that the Fe atoms occupy Ni sites. (C) 2015 Elsevier B.V. All rights reserved.

【 授权许可】

Free