Study of optical response in disordered alloys using the generalized recursion in augmented space: Application to ferromagnetic FeCo alloy
- 1. Department of Materials Science, S.N. Bose National Centre for Basic Sciences, JD-III Salt Lake City, Kolkata 700 098 (India)
- 2. Division of Materials Theory, Department of Physics and Materials Science, Uppsala University, Box 530, 751 21 Uppsala (Sweden)
- 3. Department of Materials Science and Advanced Materials Research Unit, S.N. Bose National Centre for Basic Sciences, JD-III Salt Lake City, Kolkata 700 098 (India)
Description
We propose and briefly describe the generalized recursion in augmented space using a minimal TB-LMTO basis set for the calculation of configuration averaged current response functions in disordered binary alloys. Since disorder in the current terms is off-diagonal and non-separable, single-site mean-field approaches are unable to deal with it without further approximations. The augmented space approach is ideally suited for such situations and the generalized recursion proposed by Viswanath and Mueller provides a fast and accurate O(N) technique for the actual calculations of the configuration averaged susceptibilities. We have applied the method to the disordered FeCo alloy. The results agree reasonably well with available experimental data on ordered versions of both the alloy systems, with extra broadening due to disorder induced lifetime effects.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.physb.2011.03.005Additional details
Identifiers
- DOI
- 10.1016/j.physb.2011.03.005;
- PII
- S0921-4526(11)00214-6;
Publishing Information
- Journal Title
- Physica. B, Condensed Matter
- Journal Volume
- 406
- Journal Issue
- 11
- Journal Page Range
- p. 2121-2125
- ISSN
- 0921-4526
- CODEN
- PHYBE3
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 42075478
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- APPROXIMATIONS; BINARY ALLOY SYSTEMS; COBALT ALLOYS; CONFIGURATION; IRON ALLOYS; LIFETIME; MEAN-FIELD THEORY; OPTICAL PROPERTIES; RANDOMNESS; RESPONSE FUNCTIONS
- Descriptors DEC
- ALLOY SYSTEMS; ALLOYS; CALCULATION METHODS; FUNCTIONS; PHYSICAL PROPERTIES; TRANSITION ELEMENT ALLOYS
Optional Information
- Copyright
- Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.