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

Umicevic, A.; Belosevic-Cavor, J.; Lei, Hechang; Li, Lijun; Cekic, B.; Koteski, V.; Petrovic, C.

doi:10.1016/j.jallcom.2015.08.171

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

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Abstract

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 V_zz=1.6 10²¹Vm^-2 matches well with the results of Mössbauer spectroscopy and indicates that the Fe atoms occupy Ni sites.

Authors:

V. N. Ivanovski; Umicevic, A. ^[1]; Belosevic-Cavor, J. ^[1]; Lei, Hechang ^[2]; Li, Lijun ^[2]; Cekic, B. ^[1]; Koteski, V. ^[1]; Petrovic, C. ^[2]

Univ. of Belgrade (Serbia)
Brookhaven National Lab. (BNL), Upton, NY (United States)

Publication Date:: Mon Aug 24 00:00:00 EDT 2015

Research Org.:: Brookhaven National Lab. (BNL), Upton, NY (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1236554

Alternate Identifier(s):: OSTI ID: 1250074

Report Number(s):: BNL-111601-2015-JA
Journal ID: ISSN 0925-8388; R&D Project: PM016; KC0201050

Grant/Contract Number:: SC00112704; DE–AC02–98CH10886

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Alloys and Compounds

Additional Journal Information:: Journal Volume: 651; Journal ID: ISSN 0925-8388

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

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                    V. N. Ivanovski, Umicevic, A., Belosevic-Cavor, J., Lei, Hechang, Li, Lijun, Cekic, B., Koteski, V., and Petrovic, C. Local structure study of Fe dopants in Ni-deficit Ni3Al alloys.  United States: N. p., 2015. 
Web.  doi:10.1016/j.jallcom.2015.08.171.

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                    V. N. Ivanovski, Umicevic, A., Belosevic-Cavor, J., Lei, Hechang, Li, Lijun, Cekic, B., Koteski, V., & Petrovic, C. Local structure study of Fe dopants in Ni-deficit Ni3Al alloys.  United States.  https://doi.org/10.1016/j.jallcom.2015.08.171

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                    V. N. Ivanovski, Umicevic, A., Belosevic-Cavor, J., Lei, Hechang, Li, Lijun, Cekic, B., Koteski, V., and Petrovic, C. Mon .  
"Local structure study of Fe dopants in Ni-deficit Ni3Al alloys".  United States.  https://doi.org/10.1016/j.jallcom.2015.08.171.  https://www.osti.gov/servlets/purl/1236554.

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@article{osti_1236554,

  title        = {Local structure study of Fe dopants in Ni-deficit Ni3Al alloys},

  author       = {V. N. Ivanovski and Umicevic, A. and Belosevic-Cavor, J. and Lei, Hechang and Li, Lijun and Cekic, B. and Koteski, V. and Petrovic, C.},

  abstractNote = {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.},

  doi          = {10.1016/j.jallcom.2015.08.171},

  journal      = {Journal of Alloys and Compounds},

  number       = ,

  volume       = 651,

  place        = {United States},

  year         = {Mon Aug 24 00:00:00 EDT 2015},

  month        = {Mon Aug 24 00:00:00 EDT 2015}

}

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

Abstract

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