skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on October 26, 2019

Title: Temperature dependent electronic transport in concentrated solid solutions of the 3 d -transition metals Ni, Fe, Co and Cr from first principles

Authors:
; ; ; ; ; ; ;
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 98 Journal Issue: 16; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1479172

Samolyuk, G. D., Mu, S., May, A. F., Sales, B. C., Wimmer, S., Mankovsky, S., Ebert, H., and Stocks, G. M.. Temperature dependent electronic transport in concentrated solid solutions of the 3 d -transition metals Ni, Fe, Co and Cr from first principles. United States: N. p., Web. doi:10.1103/PhysRevB.98.165141.
Samolyuk, G. D., Mu, S., May, A. F., Sales, B. C., Wimmer, S., Mankovsky, S., Ebert, H., & Stocks, G. M.. Temperature dependent electronic transport in concentrated solid solutions of the 3 d -transition metals Ni, Fe, Co and Cr from first principles. United States. doi:10.1103/PhysRevB.98.165141.
Samolyuk, G. D., Mu, S., May, A. F., Sales, B. C., Wimmer, S., Mankovsky, S., Ebert, H., and Stocks, G. M.. 2018. "Temperature dependent electronic transport in concentrated solid solutions of the 3 d -transition metals Ni, Fe, Co and Cr from first principles". United States. doi:10.1103/PhysRevB.98.165141.
@article{osti_1479172,
title = {Temperature dependent electronic transport in concentrated solid solutions of the 3 d -transition metals Ni, Fe, Co and Cr from first principles},
author = {Samolyuk, G. D. and Mu, S. and May, A. F. and Sales, B. C. and Wimmer, S. and Mankovsky, S. and Ebert, H. and Stocks, G. M.},
abstractNote = {},
doi = {10.1103/PhysRevB.98.165141},
journal = {Physical Review B},
number = 16,
volume = 98,
place = {United States},
year = {2018},
month = {10}
}

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

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990