Electronic structure and related properties of metallic glasses: Linear muffin-tin orbital approach
- Brock Univ., St. Catharines, Ontario (Canada). Physics Dept.
The authors describe various aspects of electronic structure calculation for amorphous metals using the linear muffin-tin orbital (LMTO) scheme. They discuss calculations of the magnetic properties within the framework of multiple scattering formalism assuming collinear magnetic structure and using the linear muffin-tin orbital Green`s function method. Results for the effective exchange coupling parameters and local magnetic moments for amorphous Fe and Co are discussed with special emphasis on the dependence of these quantities on the local and global features of the structure. A method of calculating the electronic transport properties in transition metal glasses, based on the LMTO-recursion method and the Kubo-Greenwood formula, is presented. The practical limitations of the method and the ways to overcome them are briefly discussed.
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 644331
- Report Number(s):
- CONF-970201--
- Journal Information:
- Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, Journal Name: Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science Journal Issue: 7 Vol. 29; ISSN 1073-5623; ISSN MMTAEB
- Country of Publication:
- United States
- Language:
- English
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