An augmented-space recursion in the k-space representation
P Biswas; B Sanyal; M Fakhruddin; A Halder; A Mookerjee; M Ahmed; P Biswas; Bose (S.N.) Nat. Centre for Basic Sci., Calcutta, India; B Sanyal; Bose (S.N.) Nat. Centre for Basic Sci., Calcutta, India; M Fakhruddin; Bose (S.N.) Nat. Centre for Basic Sci., Calcutta, India; A Halder; Bose (S.N.) Nat. Centre for Basic Sci., Calcutta, India; A Mookerjee; Bose (S.N.) Nat. Centre for Basic Sci., Calcutta, India; M Ahmed; Bose (S.N.) Nat. Centre for Basic Sci., Calcutta, India
Журнал:
Journal of Physics: Condensed Matter
Дата:
1995-11-06
Аннотация:
We present here a technique for the calculation of configurationally averaged quantities in the reciprocal k-space representation, such as the spectral function and complex band structures. We apply the technique to AgPd alloys in conjunction with the tight-binding linearized muffin-tin orbital basis. We also indicate why the same technique is ideal for application to the more accurate screened KKR and allows us to go beyond the single-site coherent potential approximation and include multi-site effects such as short-ranged ordering and local lattice distortions due to size mismatch of the constituent atoms.
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