STRUCTURAL, ELECTRONIC, AND MAGNETIC PROPERTIES OF SURFACES, INTERFACES, AND SUPERLATTICES.

Arthur J Freeman*, C. L. Fu, T. Oguchi

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contribution

10 Scopus citations

Abstract

Advances in all-electron local density functional theory approaches to complex materials structure and properties made possible by the implementation of new computational/theoretical algorithms on supercomputers are exemplified in our full potential linearized augmented plane wave (FLAPW) method. In this total energy self-consistent approach, high numerical stability and precision (to 10 in the total energy) have been demonstrated in a study of the relaxation and reconstruction of transition metal surfaces. Here we demonstrate the predictive power of this method for describing the structural, magnetic and electronic properties of several systems (surfaces, overlayers, sandwiches, and superlattices).

Original languageEnglish (US)
Title of host publicationMaterials Research Society Symposia Proceedings
PublisherMaterials Research Soc
Pages1-6
Number of pages6
ISBN (Print)0931837286
StatePublished - Dec 1 1986

Publication series

NameMaterials Research Society Symposia Proceedings
Volume63
ISSN (Print)0272-9172

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

Fingerprint Dive into the research topics of 'STRUCTURAL, ELECTRONIC, AND MAGNETIC PROPERTIES OF SURFACES, INTERFACES, AND SUPERLATTICES.'. Together they form a unique fingerprint.

Cite this