@article{00094e61841441e39489637b86f75b1a,
title = "First principles calculation of crystal field parameter near surfaces of Nd2 Fe14 B",
abstract = "We study the electronic structures of a (001) surface of crystalline Nd2 Fe14 B by using a slab model, and estimate the crystal field parameters A20 〈 r2 〉 at Nd sites based on first principles calculations. We find that the A20 〈 r2 〉 for some Nd ions are negative. The present results imply that Nd ions located around the (001) surfaces of crystalline Nd2 Fe14 B would be nucleation sites of reversed magnetic domains.",
author = "Hiroshi Moriya and Hiroki Tsuchiura and Akimasa Sakuma",
note = "Funding Information: One of the authors (H.T.) is grateful for helpful discussion with P. Nov{\'a}k, M. Divi{\v s}, and M. Higuchi. A part of numerical computations in this work was carried out at the Yukawa Institute Computer Facility and also at Cyberscience Center, Tohoku University. Some parts of this work are the results of the research supported by Rare Metal Substitute Materials Development of technology for reducing dysprosium usage in a rare-earth magnet, from METI, Japan. Also this work was partly supported by Grant-in-Aid for Scientific Research (C) and also by Next Generation Supercomputing Project, Nanoscience Program, from the Ministry of Education, Culture, Sports, Science and Technology of Japan.",
year = "2009",
doi = "10.1063/1.3073931",
language = "English",
volume = "105",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "American Institute of Physics Publising LLC",
number = "7",
}