Atomic displacements in transition metals

Author

• Nassrin Y. Moghadam

Author Type

Graduate Student

Date of Award

1998

Document Type

Thesis

Publication Status

Version of Record

Submission Date

October 2026

Abstract

Using the order-N locally-self-consistent multiple scattering (LSMS) method, we carry out first-principles studies of the displacement of atoms from their average sites in the vicinity of a vacancy and transition metal impurities in copper. Our approach is to relax the first nearest neighbor distance and to calculate total energy for a number of relaxed geometries. We then obtain the equilibrium configuration of the nuclei from minimization of the total energy.

Extent

83 p.

Comments

FAU Electronic Theses and Dissertations Collection|Adviser: J. S. Faulkner.|Thesis (Ph.D.)--Florida Atlantic University, 1998.|FAU Electronic Theses and Dissertations Collection

Recommended Citation

Moghadam, Nassrin Y., "Atomic displacements in transition metals" (1998). Electronic Theses and Dissertations 1990 - 1999. 1272.
https://digitalcommons.fau.edu/etd_general_4/1272

Identifier

FADT12546

Format

pdf