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

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

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

10 Citations (Scopus)

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
Title of host publicationMaterials Research Society Symposia Proceedings
PublisherMaterials Research Soc
Pages1-6
Number of pages6
Volume63
ISBN (Print)0931837286
Publication statusPublished - 1986

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

Cite this

Freeman, A. J., Fu, C. L., & Oguchi, T. (1986). STRUCTURAL, ELECTRONIC, AND MAGNETIC PROPERTIES OF SURFACES, INTERFACES, AND SUPERLATTICES. In Materials Research Society Symposia Proceedings (Vol. 63, pp. 1-6). Materials Research Soc.