HUSCAP logo Hokkaido Univ. logo

Hokkaido University Collection of Scholarly and Academic Papers >
Graduate School of Engineering / Faculty of Engineering >
Peer-reviewed Journal Articles, etc >

Physical properties of α-Fe upon the introduction of H, He, C, and N

Files in This Item:
SSC195 70-73.pdf487.93 kBPDFView/Open
Please use this identifier to cite or link to this item:

Title: Physical properties of α-Fe upon the introduction of H, He, C, and N
Authors: Sakuraya, Seiji Browse this author
Takahashi, Keisuke Browse this author
Wang, Shuai Browse this author
Hashimoto, Naoyuki Browse this author
Ohnuki, Somei Browse this author →KAKEN DB
Keywords: BCC Fe
Density functional theory
Issue Date: Oct-2014
Publisher: Elsevier
Journal Title: Solid State Communications
Volume: 195
Start Page: 70
End Page: 73
Publisher DOI: 10.1016/j.ssc.2014.07.008
Abstract: The effects of impurities of H, He, C, and N in α-Fe are investigated in terms of electronic structures using the density functional theory. Calculations reveal that H and He are stable at the T-site while C and N are stable at the O-site within α-Fe. The local strain field by H, He, C, and N in α-Fe causes structural elongation. Furthermore, the decrease of magnetic moment of Fe upon the introduction of C and N is found where the charge transfer is responsible. H, He, C, and N affect the electronic structure of α-Fe and change the fundamental physical properties of α-Fe.
Type: article (author version)
Appears in Collections:工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 大貫 惣明

Export metadata:

OAI-PMH ( junii2 , jpcoar_1.0 )

MathJax is now OFF:


 - Hokkaido University