Properties of the Ultrathin Multilayer Ground State of Fe/Pd
The technological evolution in the recent years allowed us to improve computers. Consequently, the numeric calculus with computational methods had a big progress. In theoretical physics that had a benefit with this technology, we can highlight the calculation of the solids' electronic structure...
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IntechOpen,
2015-11-25.
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| Summary: | The technological evolution in the recent years allowed us to improve computers. Consequently, the numeric calculus with computational methods had a big progress. In theoretical physics that had a benefit with this technology, we can highlight the calculation of the solids' electronic structure. Using the first principles method, LMTO (Linear Muffin-Tin Orbital) with the ASA (Atomic Sphere Approximation) approximation, we will study the band structure in the magnetic multilayers. The choice of these methods was based on two aspects: (a) The computer available to perform the job; a CRAY super computer that belongs to the Supercomputer National Center. Because the LTMO method presents good vectorization, it allows us to perform calculations with many atoms in the unitary cell, which would be too difficult with a smaller computer. (b) The fact that the LMTO method already presented good results in studies like intermetallic alloys and of iron nitride substituted. |
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| Item Description: | https://mts.intechopen.com/articles/show/title/properties-of-the-ultrathin-multilayer-ground-state-of-fe-pd |