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Journal ArticleDOI

Self-consistent calculations for the electronic structures of iron nitrides, Fe3N, Fe4N and Fe16N2

Akimasa Sakuma
- 01 Dec 1991 - 
- Vol. 102, pp 127-134
TLDR
The spin-polarized band calculations for the iron nitrides, Fe 3 N, Fe 4 N and Fe 16 N 2, have been performed with use of the LMTO-ASA method in the frame of local spin density functional formalism.
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This article is published in Journal of Magnetism and Magnetic Materials.The article was published on 1991-12-01. It has received 146 citations till now. The article focuses on the topics: Magnetic moment & Electronic structure.

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Citations
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Journal ArticleDOI

Theoretical analysis of highly spin-polarized transport in the iron nitride Fe 4 N

TL;DR: In this article, the authors theoretically analyzed the spin polarization ratio of the conductivity of the bulk of a perovskite-type structure, in which N is located at the body center position of the fcc-Fe.
Journal ArticleDOI

Magnetic and Mössbauer studies of single‐crystal Fe16N2 and Fe‐N martensite films epitaxially grown by molecular beam epitaxy (invited)

TL;DR: In this paper, the saturation magnetizations for Fe16N2 and FeN martensite films have been measured to be around 29 and 24 kG at room temperature, respectively and almost constant in the above thickness range by using a vibrating sample magnetometer.
Journal ArticleDOI

Magnetic moment of α″‐Fe16N2 films (invited)

TL;DR: In this paper, the intrinsic magnetic moment of the (α, δ + δ)-Fe16N2 films was determined in connection with the change of the unitcell volume of the bct structure and the degree of N site ordering in nitrogen-martensite.
Journal ArticleDOI

Theoretical calculations on the structures, electronic and magnetic properties of binary 3d transition metal nitrides

TL;DR: In this article, the electronic structures of a number of binary 3D transition metal and iron nitrides have been investigated by means of spin-polarized first principles band structure calculations (TB-LMTO-ASA).
Journal ArticleDOI

Chemistry of Ammonothermal Synthesis

TL;DR: Ammonothermal synthesis is a method for synthesis and crystal growth suitable for a large range of chemically different materials, such as nitrides, amides, and polychalcogenides as mentioned in this paper.
References
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Journal ArticleDOI

Linear methods in band theory

TL;DR: In this article, the authors proposed a method to improve our understanding of the behavior of real solids by using calculations of the electronic structure of real molecules and solids in order to improve the search for new and better materials.
Journal ArticleDOI

A local exchange-correlation potential for the spin polarized case: I

TL;DR: In this article, a spin dependent one-electron potential pertinent to ground state properties is obtained from calculations of the total energy per electron made with a 'bubble' (or random phase) type of dielectric function.
Journal ArticleDOI

Improved magnetic properties by treatment of iron-based rare earth intermetallic compounds in anmonia

TL;DR: In this paper, the R2Ni17 and R2Fe17C intermetallic compounds were found to absorb approximately two atoms of nitrogen per formula unit on heating in ammonia or nitrogen.
Journal ArticleDOI

New Magnetic Material Having Ultrahigh Magnetic Moment

T. K. Kim, +1 more
TL;DR: In this paper, a new magnetic material which has the highest saturation magnetization at room temperature, 2050 G, among those of all the magnetic materials was attributed to Fe16N2, which has a bct structure, and the magnetic moment associated with Fe atoms of Fe 16N2 was deduced to be 3.0 μB.
Journal ArticleDOI

The occurrence and the crystal structure of α"-iron nitride; a new type of interstitial alloy formed during the tempering of nitrogen-martensite

TL;DR: In this article, a new iron-nitrogen phase, α99, occurs as an intermediate in the decomposition nitrogen-martensite ( α9 ) → Fe 4 N( γ9 ).
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