Ab initio Disordered Local Moment Approach for a Doped Rare-Earth Magnet

Abstract

Following the finite-temperature ab initio calculation framework based on the relativistic disordered local moments, we computationally demonstrate the possibility of doping-enhanced coercivity at high-temperatures, taking YCo${}_5$ as a working material in order to extract the $3d$-electron part of the electronic structure of the rare-earth permanent magnets. Alkaline-earth dopants are shown to be the candidates to realize the proposed phenomenon.

5 pages, 4 figures, proceedings for CSW2014

References in corpus (2)

• Improvement of magnetic hardness at finite temperatures: ab initio disordered local moment approach for YCo${}_5$
• First Principle Simulations of Heavy Fermion Cerium Compounds Based on the Kondo Lattice

Cited by in corpus (1)

• First-principles Calculation of Magnetocrystalline Anisotropy of Y(Co,Fe,Ni,Cu)${}_5$ Based on Full-potential KKR Green's Function Method