期刊
JOURNAL OF ALLOYS AND COMPOUNDS
卷 651, 期 -, 页码 705-711出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2015.08.171
关键词
Intermetallics; Electronic properties; Hyperfine interactions; Mossbauer spectroscopy; X-ray diffraction
资金
- Ministry of Education, Science and Technological Development of the Republic of Serbia [171001]
- US DOE [DE-AC02-98CH10886]
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.
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