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New Ferromagnetic Nitrides, CaN and SrN, and their “Recipe”

Published online by Cambridge University Press:  26 February 2011

Masaaki Geshi ,
Koichi Kusakabe ,
Hitose Nagara  and
Naoshi Suzuki
Masaaki Geshi
Affiliation:
[email protected], Osaka University, Engineering Science, 1-3 Machikaneyama, Toyonaka, 560-8531, Japan
Koichi Kusakabe
Affiliation:
[email protected], Osaka University, Engineering Science, 1-3 Machikaneyama, Toyonaka, 560-8531, Japan
Hitose Nagara
Affiliation:
[email protected], Osaka University, Engineering Science, 1-3 Machikaneyama, Toyonaka, 560-8531, Japan
Naoshi Suzuki
Affiliation:
[email protected], Osaka University, Engineering Science, 1-3 Machikaneyama, Toyonaka, 560-8531, Japan
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Abstract

We have designed new materials, CaN and SrN in a rock-salt structure (RS). They are ferromagnetic nitrides. Their ferromagnetic states are quite stable. Our calculations for the formation energy and first-principles MD simulations suggested that RS-CaN is at least metastable and stable in normal condition. Based on our results we have proposed the synthesis process of RS-CaN. Our proposed process is (1) heat up α-Ca3N2 until it is transformed into β-Ca3N2, (2) compress it above 50 GPa until 2Ca3N2 →2CaN+Ca reaction occurs, (3) cool down them to room temperature and (4) decompress them into an ambient pressure. We consider that this high pressure and high temperature synthesis is one of the hopeful method to synthesize new materials.

Keywords

ferromagneticnitrideelectronic structure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 987: Symposium PP – Materials Research at High Pressure , 2006 , 0987-PP01-03
Copyright
Copyright © Materials Research Society 2007

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