Site preference of Re in NiAl and valence band structure of NiAl containing Re: first-principles study and photoelectron spectrum
File version
Author(s)
Liang, JJ
Sun, BZ
Zheng, Q
Sun, XF
Peng, P
Yao, X
Dargusch, MS
Griffith University Author(s)
Primary Supervisor
Other Supervisors
Editor(s)
Date
Size
File type(s)
Location
License
Abstract
The site preference of Re in NiAl was studied using first-principles calculations. The calculation of formation energies of the NiAl alloys indicated the site preference of Re on the Ni sites. The valence band structures of the NiAl alloys were investigated by photoelectron spectroscopy. The valence band spectra of the NiAl with Re shifted away from the Fermi energy level so that the Ni d-band centroid moved to a higher energy by 0.25 eV as Re was added. Such a shift could be attributed to the Ni-Re interaction, which was supported by the photoelectron spectroscopy measurement
Journal Title
Applied Physics Letters
Conference Title
Book Title
Edition
Volume
94
Issue
23
Thesis Type
Degree Program
School
Publisher link
Patent number
Funder(s)
Grant identifier(s)
Rights Statement
Rights Statement
Item Access Status
Note
Access the data
Related item(s)
Subject
Physical sciences
Solid state chemistry
Physical properties of materials
Engineering