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      An accelerating approach of designing ferromagnetic materials via machine leaning modeling of magnetic ground state and Curie temperature

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          Abstract

          Magnetic materials have a plethora of applications ranging from informatics to energy harvesting and conversion. However, such functionalities are limited by the magnetic ordering temperature. In this work, we performed machine learning on the magnetic ground state and the Curie temperature (TC), using generic chemical and crystal structural descriptors. Based on a database of 2805 known intermetallic compounds, a random forest model is trained to classify ferromagnetic and antiferromagnetic compounds and to do regression on the TC for the ferromagnets. The resulting accuracy is about 86% for classification and 92% for regression (with a mean absolute error of 58K). Composition based features are sufficient for both classification and regression, whereas structural descriptors improve the performance. Finally, we predict the magnetic ordering and TC for all the intermetallic magnetic materials in the Materials Project. Our work paves the way to accelerate the development of magnetic materials for technological applications.

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          Most cited references 7

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          The emergence of spin electronics in data storage.

          Electrons have a charge and a spin, but until recently these were considered separately. In classical electronics, charges are moved by electric fields to transmit information and are stored in a capacitor to save it. In magnetic recording, magnetic fields have been used to read or write the information stored on the magnetization, which 'measures' the local orientation of spins in ferromagnets. The picture started to change in 1988, when the discovery of giant magnetoresistance opened the way to efficient control of charge transport through magnetization. The recent expansion of hard-disk recording owes much to this development. We are starting to see a new paradigm where magnetization dynamics and charge currents act on each other in nanostructured artificial materials. Ultimately, 'spin currents' could even replace charge currents for the transfer and treatment of information, allowing faster, low-energy operations: spin electronics is on its way.
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            Magnetic materials and devices for the 21st century: stronger, lighter, and more energy efficient.

            A new energy paradigm, consisting of greater reliance on renewable energy sources and increased concern for energy efficiency in the total energy lifecycle, has accelerated research into energy-related technologies. Due to their ubiquity, magnetic materials play an important role in improving the efficiency and performance of devices in electric power generation, conditioning, conversion, transportation, and other energy-use sectors of the economy. This review focuses on the state-of-the-art hard and soft magnets and magnetocaloric materials, with an emphasis on their optimization for energy applications. Specifically, the impact of hard magnets on electric motor and transportation technologies, of soft magnetic materials on electricity generation and conversion technologies, and of magnetocaloric materials for refrigeration technologies, are discussed. The synthesis, characterization, and property evaluation of the materials, with an emphasis on structure-property relationships, are discussed in the context of their respective markets, as well as their potential impact on energy efficiency. Finally, considering future bottlenecks in raw materials, options for the recycling of rare-earth intermetallics for hard magnets will be discussed. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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              Adiabatic spin dynamics from spin-density-functional theory: Application to Fe, Co, and Ni

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                Author and article information

                Journal
                02 August 2019
                Article
                1908.00926

                http://arxiv.org/licenses/nonexclusive-distrib/1.0/

                Custom metadata
                12 pages, 4 figures
                cond-mat.mtrl-sci

                Condensed matter

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