Symmetry reduction in the augmented space recursion formalism for random binary alloys
نویسندگان
چکیده
We present here an efficient method which systematically reduces the rank of the augmented space and thereby helps to implement augmented space recursion for any real calculation. Our method is based on the symmetry of the Hamiltonian in the augmented space and keeping recursion basis vectors in the irreducible subspace of the Hilbert space. PACS numbers: 71.20,71.20c
منابع مشابه
Vibrational properties of phonons in random binary alloys: An augmented space recursive technique in the k-representation
We present here an augmented space recursive technique in the k-representation which include diagonal, off-diagonal and the environmental disorder explicitly : an analytic , translationally invariant , multiple scattering theory for phonons in random binary alloys.We apply the formalism to Ni55Pd45 , Ni88Cr12 and Ni50Pt50 alloys which is not a random choice. Numerical results on spectral functi...
متن کاملAugmented space recursion code and application in simple binary metallic alloy
We present here an optimized and parallelized version of the augmented space recursion code for the calculation of the electronic and magnetic properties of bulk disordered alloys, surfaces and interfaces, either flat, corrugated or rough, and random networks. Applications have been made to bulk disordered alloys to benchmark our code.
متن کاملStudy of phase stability of MnCr using the augmented space recursion based orbital peeling technique
In an earlier communication we have developed a recursion based approach to the study of phase stability and transition of binary alloys [1]. We had combined the recursion method introduced by Haydock, Heine and Kelly[2] and the our augmented space approach[3] with the orbital peeling technique proposed by Burke [4] to determine the small energy differences involved in the discussion of phase s...
متن کاملTime-Dependent Real-Space Renormalization Group Method
In this paper, using the tight-binding model, we extend the real-space renormalization group method to time-dependent Hamiltonians. We drive the time-dependent recursion relations for the renormalized tight-binding Hamiltonian by decimating selective sites of lattice iteratively. The formalism is then used for the calculation of the local density of electronic states for a one dimensional quant...
متن کاملAugmented Space Recursion for Partially Disordered Systems. Augmented Space Recursion for Partially Disordered Systems
Abstract. Off-stoichiometric alloys exhibit partial disorder, in the sense that only some of the sublattices of the stoichiometric ordered alloy become disordered. This paper puts forward a generalization of the augmented space recursion (ASR) introduced earlier by one of us (Mookerjee et al 1997(*)) for systems with many atoms per unit cell. In order to justify the convergence properties of AS...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2003