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Title: First Principles Calculations for X-ray Resonant Spectra and Elastic Properties

Abstract

In this thesis, we discuss applications of first principles methods to x-ray resonant spectra and elastic properties calculation. We start with brief reviews about theoretical background of first principles methods, such as density functional theory, local density approximation (LDA), LDA+U, and the linear augmented plane wave (LAPW) method to solve Kohn-Sham equations. After that we discuss x-ray resonant scattering (XRMS), x-ray magnetic circular dichroism (XMCD) and the branching problem in the heavy rare earths Ledges. In the last chapter we discuss the elastic properties of the second hardest material AlMgB 14.

Authors:
 [1]
  1. Iowa State Univ., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
888948
Report Number(s):
IS-T 2094
TRN: US0604359
DOE Contract Number:  
W-7405-Eng-82
Resource Type:
Thesis/Dissertation
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ELASTICITY; FUNCTIONALS; MAGNETIC CIRCULAR DICHROISM; RARE EARTHS; SCATTERING; SPECTRA

Citation Formats

Lee, Yongbin. First Principles Calculations for X-ray Resonant Spectra and Elastic Properties. United States: N. p., 2004. Web. doi:10.2172/888948.
Lee, Yongbin. First Principles Calculations for X-ray Resonant Spectra and Elastic Properties. United States. doi:10.2172/888948.
Lee, Yongbin. Thu . "First Principles Calculations for X-ray Resonant Spectra and Elastic Properties". United States. doi:10.2172/888948. https://www.osti.gov/servlets/purl/888948.
@article{osti_888948,
title = {First Principles Calculations for X-ray Resonant Spectra and Elastic Properties},
author = {Lee, Yongbin},
abstractNote = {In this thesis, we discuss applications of first principles methods to x-ray resonant spectra and elastic properties calculation. We start with brief reviews about theoretical background of first principles methods, such as density functional theory, local density approximation (LDA), LDA+U, and the linear augmented plane wave (LAPW) method to solve Kohn-Sham equations. After that we discuss x-ray resonant scattering (XRMS), x-ray magnetic circular dichroism (XMCD) and the branching problem in the heavy rare earths Ledges. In the last chapter we discuss the elastic properties of the second hardest material AlMgB14.},
doi = {10.2172/888948},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jan 01 00:00:00 EST 2004},
month = {Thu Jan 01 00:00:00 EST 2004}
}

Thesis/Dissertation:
Other availability
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