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U.S. Department of Energy
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SOLID STATE PHYSICS PROGRAM. CALCULATIONS ON THE GROUP THEORY AND BAND STRUCTURE OF CADMIUM SULFIDE. Technical Report No. 9

Technical Report ·
OSTI ID:4137379
The group theory of the wurtzite structure is discussed and applied to determine symmetrized combinations of plane waves (scpw's) which transform according to the irreducible representations of the group of the wave vector. A general expression for the matrix elements of the Hamiltonian between the scpw's is developed. The crystal potential is constructed from empirical, orthonormal Slater atomic wave functions. It is assumed to be a superposition of atomic potentials. The Fourier coefficients of the potential are calculated for the purpose of determining the band structure by the Phillips and Kleinman "effective potential" method to be accomplished at a later date. The escalator method of solving secular determinants is discussed and extended for determinants of Hermitian matrices. (auth)
Research Organization:
Case Inst. of Tech., Cleveland
NSA Number:
NSA-14-024767
OSTI ID:
4137379
Report Number(s):
TID-6392
Country of Publication:
United States
Language:
English