Origin of the spin reorientation transitions in (Fe1–xCox)2B alloys

Authors

Kirill D. Belashchenko, University of Nebraska-LincolnFollow
Liqin Ke, Ames Laboratory, U.S. Department of EnergyFollow
Markus Dane, Lawrence Livermore National Laboratory
Lorin X. Benedict, Lawrence Livermore National LaboratoryFollow
Tej Nath Lamichhane, U.S Department of Energy, Iowa State University
Valentin Taufour, U.S Department of Energy, Iowa State UniversityFollow
Anton Jesche, U.S Department of Energy, Iowa State University
Sergey L. Bud'ko, U.S Department of Energy, Iowa State UniversityFollow
Paul C. Canfield, U.S Department of Energy, Iowa State UniversityFollow
Vladimir P. Antropov, Ames Laboratory US Department of EnergyFollow

Date of this Version

2015

Citation

APPLIED PHYSICS LETTERS 106, 062408 (2015)

Comments

Copyright 2015 Used by permission

Abstract

Low-temperature measurements of the magnetocrystalline anisotropy energy K in (Fe1–xCox)2B alloys are reported, and the origin of this anisotropy is elucidated using a first-principles electronic structure analysis. The calculated concentration dependence K(x) with a maximum near x¼0.3 and a minimum near x¼0.8 is in excellent agreement with experiment. This dependence is traced down to spin-orbital selection rules and the filling of electronic bands with increasing electronic concentration. At the optimal Co concentration, K depends strongly on the tetragonality and doubles under a modest 3% increase of the c/a ratio, suggesting that the magnetocrystalline anisotropy can be further enhanced using epitaxial or chemical strain.