Database of novel magnetic materials for high-performance permanent magnet development

Abstract

This paper describes the open Novamag database that has been developed for the design of novel Rare-Earth free/lean permanent magnets. The database software technologies, its friendly graphical user interface, advanced search tools and available data are explained in detail. Following the philosophy and standards of Materials Genome Initiative, it contains significant results of novel magnetic phases with high magnetocrystalline anisotropy obtained by three computational high-throughput screening approaches based on a crystal structure prediction method using an Adaptive Genetic Algorithm, tetragonally distortion of cubic phases and tuning known phases by doping. Additionally, it also includes theoretical and experimental data about fundamental magnetic material properties such as magnetic moments, magnetocrystalline anisotropy energy, exchange parameters, Curie temperature, domain wall width, exchange stiffness, coercivity and maximum energy product, that can be used in the study and design of new promising high-performance Rare-Earth free/lean permanent magnets. The results therein contained might provide some insights into the ongoing debate about the theoretical performance limits beyond Rare-Earth based magnets. Finally, some general strategies are discussed to design possible experimental routes for exploring most promising theoretical novel materials found in the database.

References in corpus (9)

• A method for atomistic spin dynamics simulations: implementation and examples
• First- principle calculations of magnetic interactions in correlated systems
• Quantitative simulation of temperature dependent magnetization dynamics and equilibrium properties of elemental ferromagnets
• Convergence and machine learning predictions of Monkhorst-Pack k-points and plane-wave cut-off in high-throughput DFT calculations
• Large magnetic anisotropy predicted for rare-earth free Fe16-xCoxN2 alloys
• Tuning magnetocrystalline anisotropy of Fe${}_3$Sn by alloying
• Structures, phase transitions, and magnetic properties of Co3Si from first-principles calculations
• On the origin of perpendicular magnetic anisotropy in strained Fe-Co(-X) films
• Computational Design of the Rare-Earth Reduced Permanent Magnets

Cited by in corpus (5)

• Data Assimilation Method for Experimental and First-Principles Data: Finite-Temperature Magnetization of (Nd,Pr,La,Ce)${}_2$(Fe,Co,Ni)${}_{14}$B
• Computational screening of Fe-Ta hard magnetic phases
• Effect of transition metal doping on magnetic hardness of CeFe${}_{12}$-based compounds
• The effects of V doping on the intrinsic properties of SmFe10Co2 alloys: a theoretical investigation
• Electronic and Optical Properties of Zinc based Hybrid Organic-Inorganic Compounds for Ultraviolet Applications