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Title: Phase and structural stability in Ni-Al systems from first principles

Authors:
;
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 94 Journal Issue: 9; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1328488

Goiri, Jon Gabriel, and Van der Ven, Anton. Phase and structural stability in Ni-Al systems from first principles. United States: N. p., Web. doi:10.1103/PhysRevB.94.094111.
Goiri, Jon Gabriel, & Van der Ven, Anton. Phase and structural stability in Ni-Al systems from first principles. United States. doi:10.1103/PhysRevB.94.094111.
Goiri, Jon Gabriel, and Van der Ven, Anton. 2016. "Phase and structural stability in Ni-Al systems from first principles". United States. doi:10.1103/PhysRevB.94.094111.
@article{osti_1328488,
title = {Phase and structural stability in Ni-Al systems from first principles},
author = {Goiri, Jon Gabriel and Van der Ven, Anton},
abstractNote = {},
doi = {10.1103/PhysRevB.94.094111},
journal = {Physical Review B},
number = 9,
volume = 94,
place = {United States},
year = {2016},
month = {9}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996
  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996