Local structure study of Fe dopants in Ni-deficit Ni3Al alloys
- Univ. of Belgrade (Serbia)
- Brookhaven National Lab. (BNL), Upton, NY (United States)
We found that the local electronic and magnetic structure, hyperfine interactions, and phase composition of polycrystalline Ni–deficient Ni 3-x FexAl (x = 0.18 and 0.36) were investigated by means of 57 Fe Mössbauer 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 Ni 3 Al. Moreover, the value of calculated electric field gradient tensor Vzz=1.6 1021Vm-2 matches well with the results of Mössbauer spectroscopy and indicates that the Fe atoms occupy Ni sites.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- SC00112704; DE–AC02–98CH10886
- OSTI ID:
- 1236554
- Alternate ID(s):
- OSTI ID: 1250074
- Report Number(s):
- BNL-111601-2015-JA; R&D Project: PM016; KC0201050
- Journal Information:
- Journal of Alloys and Compounds, Vol. 651; ISSN 0925-8388
- Publisher:
- ElsevierCopyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
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