Spectral Densities and Complex Band Structures of Random Alloys — Augmented Space Recursion in Reciprocal Space | Zendy

Sanyal B. | Zendy; Mookerjee A. | Zendy

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Spectral Densities and Complex Band Structures of Random Alloys — Augmented Space Recursion in Reciprocal Space

Author(s) -

Sanyal B.,

Mookerjee A.

Publication year - 1999

Publication title -

physica status solidi (b)

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.51

H-Index - 109

eISSN - 1521-3951

pISSN - 0370-1972

DOI - 10.1002/(sici)1521-3951(199912)216:2<1009::aid-pssb1009>3.0.co;2-h

Subject(s) - formalism (music) , reciprocal lattice , reciprocal , coherent potential approximation , recursion (computer science) , space (punctuation) , tight binding , electronic band structure , physics , anisotropy , spectral properties , quantum mechanics , electronic structure , condensed matter physics , statistical physics , mathematics , computer science , algorithm , art , musical , linguistics , philosophy , diffraction , visual arts , operating system , astrophysics

We present a formalism of calculating configuration averaged physical quantities of random alloys in reciprocal space going beyond single‐site coherent potential approximation (CPA). The formalism constitutes augmented space recursive technique combined with first‐principles tight‐binding linearized muffin tin orbital (TBLMTO) method. Spectral densities and complex band structures of disordered f.c.c. AgPd and b.c.c. TiFe alloys have been calculated. The results are in excellent agreement with previous calculations.

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