The Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization

R Popescu; D Macovei; M Manciu; F Zavaliche; D Fratiloiu; A Jianu; A Devenyi; R Manaila; Y Xie; T Hu; B R Orton; R J Cernik; C C Tang

doi:10.1088/0953-8984/9/36/003

The Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization

R Popescu, D Macovei, M Manciu, F Zavaliche, D Fratiloiu, A Jianu, A Devenyi, R Manaila, Y Xie, T Hu, B R Orton, R J Cernik, C C Tang

Research output: Contribution to journal › Article › peer-review

Abstract

Au-substituted Al-Cu-Fe icosahedral phases, Al62Cu25.5-xAuxFe12.5 (x ≤ 7), were prepd. by melt spinning. EDS data showed that Cu as well as Al atoms are effectively substituted for with Au. The hyper-cubic lattice parameter of as-quenched samples slowly increases with x, while phonon- and phason-type disorders are not affected by Au substitution. Exptl. structure factors for "sum" lines were used to derive an av. radius of the at. hypersurfaces. Comparison of exptl. vs. calcd. ratios of structure factors for different models yielded information about the Au distribution over the icosahedral sites. It was inferred that a fraction of the gold shapes its Al surrounding in a AuAl2-type configuration. Evidence was found for d-sp. hybridization of Au-Al bonds, on the basis of the "white-line" area at the Au L3 absorption edge. [on SciFinder(R)]

Original language	English
Pages (from-to)	7523-7540
Number of pages	18
Journal	J. Phys. Condens. Matter
Volume	9
Issue number	36
DOIs	https://doi.org/10.1088/0953-8984/9/36/003
Publication status	Published - 1997

Keywords

Bond
Disorder
Electron hybridization
Phason
Phonon
Structure factor (Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization)
gold aluminum copper iron icosahedral phase
bond hybridization copper iron icosahedral phase

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Cite this

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title = "The Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization",

abstract = "Au-substituted Al-Cu-Fe icosahedral phases, Al62Cu25.5-xAuxFe12.5 (x ≤ 7), were prepd. by melt spinning. EDS data showed that Cu as well as Al atoms are effectively substituted for with Au. The hyper-cubic lattice parameter of as-quenched samples slowly increases with x, while phonon- and phason-type disorders are not affected by Au substitution. Exptl. structure factors for {"}sum{"} lines were used to derive an av. radius of the at. hypersurfaces. Comparison of exptl. vs. calcd. ratios of structure factors for different models yielded information about the Au distribution over the icosahedral sites. It was inferred that a fraction of the gold shapes its Al surrounding in a AuAl2-type configuration. Evidence was found for d-sp. hybridization of Au-Al bonds, on the basis of the {"}white-line{"} area at the Au L3 absorption edge. [on SciFinder(R)]",

keywords = "Bond, Disorder, Electron hybridization, Phason, Phonon, Structure factor (Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization), gold aluminum copper iron icosahedral phase, bond hybridization copper iron icosahedral phase",

author = "R Popescu and D Macovei and M Manciu and F Zavaliche and D Fratiloiu and A Jianu and A Devenyi and R Manaila and Y Xie and T Hu and Orton, {B R} and Cernik, {R J} and Tang, {C C}",

note = "CAN 127:335147 Nonferrous Metals and Alloys 197908-55-7; 197908-56-8; 197908-57-9; 197908-58-0 Role: PRP (Properties) (Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization)",

year = "1997",

doi = "10.1088/0953-8984/9/36/003",

language = "English",

volume = "9",

pages = "7523--7540",

journal = "J. Phys. Condens. Matter",

issn = "0953-8984",

publisher = "IOP Publishing Ltd",

number = "36",

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TY - JOUR

T1 - The Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization

AU - Popescu, R

AU - Macovei, D

AU - Manciu, M

AU - Zavaliche, F

AU - Fratiloiu, D

AU - Jianu, A

AU - Devenyi, A

AU - Manaila, R

AU - Xie, Y

AU - Hu, T

AU - Orton, B R

AU - Cernik, R J

AU - Tang, C C

N1 - CAN 127:335147 Nonferrous Metals and Alloys 197908-55-7; 197908-56-8; 197908-57-9; 197908-58-0 Role: PRP (Properties) (Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization)

PY - 1997

Y1 - 1997

N2 - Au-substituted Al-Cu-Fe icosahedral phases, Al62Cu25.5-xAuxFe12.5 (x ≤ 7), were prepd. by melt spinning. EDS data showed that Cu as well as Al atoms are effectively substituted for with Au. The hyper-cubic lattice parameter of as-quenched samples slowly increases with x, while phonon- and phason-type disorders are not affected by Au substitution. Exptl. structure factors for "sum" lines were used to derive an av. radius of the at. hypersurfaces. Comparison of exptl. vs. calcd. ratios of structure factors for different models yielded information about the Au distribution over the icosahedral sites. It was inferred that a fraction of the gold shapes its Al surrounding in a AuAl2-type configuration. Evidence was found for d-sp. hybridization of Au-Al bonds, on the basis of the "white-line" area at the Au L3 absorption edge. [on SciFinder(R)]

AB - Au-substituted Al-Cu-Fe icosahedral phases, Al62Cu25.5-xAuxFe12.5 (x ≤ 7), were prepd. by melt spinning. EDS data showed that Cu as well as Al atoms are effectively substituted for with Au. The hyper-cubic lattice parameter of as-quenched samples slowly increases with x, while phonon- and phason-type disorders are not affected by Au substitution. Exptl. structure factors for "sum" lines were used to derive an av. radius of the at. hypersurfaces. Comparison of exptl. vs. calcd. ratios of structure factors for different models yielded information about the Au distribution over the icosahedral sites. It was inferred that a fraction of the gold shapes its Al surrounding in a AuAl2-type configuration. Evidence was found for d-sp. hybridization of Au-Al bonds, on the basis of the "white-line" area at the Au L3 absorption edge. [on SciFinder(R)]

KW - Bond

KW - Disorder

KW - Electron hybridization

KW - Phason

KW - Phonon

KW - Structure factor (Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization)

KW - gold aluminum copper iron icosahedral phase

KW - bond hybridization copper iron icosahedral phase

U2 - 10.1088/0953-8984/9/36/003

DO - 10.1088/0953-8984/9/36/003

M3 - Article

SN - 0953-8984

VL - 9

SP - 7523

EP - 7540

JO - J. Phys. Condens. Matter

JF - J. Phys. Condens. Matter

IS - 36

ER -

The Au-substituted Al-Cu-Fe icosahedral phase: evidence for bond hybridization

Abstract

Keywords

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