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Applications of the NRL tight-binding method to magnetic systems

Publication ,  Journal Article
Mehl, MJ; Papaconstantopoulos, DA; Mazin, II; Bacalis, NC; Pickett, WE
Published in: Journal of Applied Physics
June 1, 2001

The NRL developed tight-binding method has been very successful in describing the properties of nonmagnetic elemental metals and semiconductors with accuracy comparable to first-principles methods. In this article we discuss extensions of the method to magnetic systems. We first show that the method correctly predicts equilibrium ground state structures, elastic constants, and phonon frequencies in ferromagnetic iron. We also show how the magnetic calculations can be extended to noncollinear systems, focusing on the electronic behavior of iron. © 2001 American Institute of Physics.

Duke Scholars

Published In

Journal of Applied Physics

DOI

ISSN

0021-8979

Publication Date

June 1, 2001

Volume

89

Issue

11 II

Start / End Page

6880 / 6882

Related Subject Headings

  • Applied Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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ICMJE
MLA
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Mehl, M. J., Papaconstantopoulos, D. A., Mazin, I. I., Bacalis, N. C., & Pickett, W. E. (2001). Applications of the NRL tight-binding method to magnetic systems. Journal of Applied Physics, 89(11 II), 6880–6882. https://doi.org/10.1063/1.1356031
Mehl, M. J., D. A. Papaconstantopoulos, I. I. Mazin, N. C. Bacalis, and W. E. Pickett. “Applications of the NRL tight-binding method to magnetic systems.” Journal of Applied Physics 89, no. 11 II (June 1, 2001): 6880–82. https://doi.org/10.1063/1.1356031.
Mehl MJ, Papaconstantopoulos DA, Mazin II, Bacalis NC, Pickett WE. Applications of the NRL tight-binding method to magnetic systems. Journal of Applied Physics. 2001 Jun 1;89(11 II):6880–2.
Mehl, M. J., et al. “Applications of the NRL tight-binding method to magnetic systems.” Journal of Applied Physics, vol. 89, no. 11 II, June 2001, pp. 6880–82. Scopus, doi:10.1063/1.1356031.
Mehl MJ, Papaconstantopoulos DA, Mazin II, Bacalis NC, Pickett WE. Applications of the NRL tight-binding method to magnetic systems. Journal of Applied Physics. 2001 Jun 1;89(11 II):6880–6882.
Journal cover image

Published In

Journal of Applied Physics

DOI

ISSN

0021-8979

Publication Date

June 1, 2001

Volume

89

Issue

11 II

Start / End Page

6880 / 6882

Related Subject Headings

  • Applied Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences