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Marcio Costa

Publications and source records attributed to Marcio Costa.

21 records · Page 2Linked to original sources

The AFLOW Fleet for Materials Discovery

The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data driven research. With the intent to accelerate the development and the deployment of new technologies, the AFLOW Fleet for computational materials design automates high-throughput first principles calculations, and provides tools for data verification and dissemination for a broad community of users. AFLOW incorporates different computational modules to robustly determine thermodynamic stability, electronic band structures, vibrational dispersions, thermo-mechanical properties and more. The AFLOW data repository is publicly accessible online at aflow.org, with more than 1.7 million materials entries and a panoply of queryable computed properties. Tools to programmatically search and process the data, as well as to perform online machine learning predictions, are also available.

cond-mat.mtrl-sci↗

Accelerating the switching of logical units by anisotropy driven magnetization dynamics

In this work the magnetization dynamics of clusters supported on non-magnetic substrates is shown to exhibit an unprecedented complex response when subjected to external magnetic fields. The field-driven magnetization reversal of small Co clusters deposited on a Cu(111) surface has been studied by means of first-principles calculations and atomistic spin dynamics simulations. For applied fields ranging from 1 Tesla to 10 Tesla, we observe a coherent magnetization reversal with switching times in the range of several tenths of picoseconds to several nanoseconds, depending on the field strength. We find a non-monotonous dependence of the switching times with respect to the strength of the applied field, which we prove to have its origin in the complex magnetic anisotropy landscape of these low dimensional systems. This effect is shown to be stable for temperatures around 10 K, and is possible to realize over a range of exchange interactions and anisotropy landscapes. Possible experimental routes to achieve this unique switching behaviour are discussed.

cond-mat.mtrl-sci↗

On the large magnetic anisotropy of Fe_{2}P

We present an investigation on the large magnetic anisotropy of Fe_{2}P, based on {\it Ab Initio} density-functional theory calculations, with a full potential linear muffin-tin orbital (FP-LMTO) basis. We obtain an uniaxial magnetic anisotropy energy (MAE) of 664 μeV/f.u., which is in decent agreement with experimental observations. Based on a band structure analysis the microscopical origin of the large magnetic anisotropy is explained. We also show that by straining the crystal structure, the MAE can be enhanced further.

cond-mat.mtrl-sci↗