
Accession Number : AD0258611
Title : THEORETICAL INVESTIGATION OF THE ELECTRONIC ENERGY BANDS FOR THE ZIRCONIUMOXYGEN CRYSTAL. PART II. SYMMETRYADAPTED ORBITALS AND SECULAR ELEMENTS
Corporate Author : STOCKHOLM UNIV (SWEDEN)
Personal Author(s) : FLODMARK,STIG ; ROOS,BJORN
Report Date : MAR 1961
Pagination or Media Count : 1
Abstract : Explicit formulae for the elements of the split secular equations which yield the electronic energy bands in the closepacked hexagonal ZrO system are presented. The methods used to split the secular equations in the present report are based on the theoretical development outlined previously (AD257 432). Certain singular idempotent projection matrices, labelled by the diagonal elements of the irreducible representations of the different little groups of the crystal symmetry group, are very useful for the determination of the split secular matrices. These matrices are given for the case where the screw symmetry of the crystal is not considered; they are unique except for similarity transformations. A systematic method of further transforming the singular secular matrices into reduced form and, finally into real form is outlined. Some relations for the elements of the secular equations and a discussion of the influence of the screw symmetry are given. (Author)
Descriptors : *CRYSTALS, *OXIDES, *SOLID STATE PHYSICS, *ZIRCONIUM COMPOUNDS, ALGEBRA, ATOMIC ORBITALS, CRYSTAL LATTICES, ELECTRONICS, ENERGY, MATHEMATICAL ANALYSIS, MATRICES(MATHEMATICS), OXYGEN, ZIRCONIUM
Distribution Statement : APPROVED FOR PUBLIC RELEASE