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  High pressure high-temperature behavior and magnetic properties of Fe4N: experiment and theory

Guo, K., Rau, D., von Appen, J., Prots, Y., Schnelle, W., Dronskowski, R., et al. (2013). High pressure high-temperature behavior and magnetic properties of Fe4N: experiment and theory. High Pressure Research, 33(3 Sp. Iss. SI), 684-696. doi:10.1080/08957959.2013.809715.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0015-1E74-9 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-4A2F-9
Genre: Journal Article

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 Creators:
Guo, K.1, Author              
Rau, D., Author
von Appen, J., Author
Prots, Y.2, Author              
Schnelle, W.3, Author              
Dronskowski, R., Author
Niewa, R.4, Author              
Schwarz, U.5, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
3Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
4Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
5Ulrich Schwarz, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863423              

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 Abstract: Under high pressure high-temperature conditions, namely 8.5(8)GPa and 1373(150)K, -Fe4N (Pm3<overbar>m) is transformed into E-type Fe3N0.75. At ambient temperature, the onset of the transition is observed above 17GPa by in situ X-ray diffraction data. The nitrogen content of Fe3N0.77(4) deduced on the basis of the observed lattice parameters is in excellent agreement with the result from chemical analysis (Fe3N0.760(6)O0.018(2)). The thermochemical properties of the product combined with calculations of the formation enthalpy indicate that, at ambient pressure conditions, E-Fe3N0.75 transforms back into </inline-formula>N around 525K. Magnetization data of E-Fe3N0.75 show that the bulk sample is a soft ferromagnetic material. Ab initio methods yield a magnetization of 6.2 (B) for both E-Fe3N0.75 and the daltonide E-Fe3N but the local moments differ.

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Language(s): eng - English
 Dates: 2013-08-20
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: eDoc: 671478
ISI: 000327006700022
DOI: 10.1080/08957959.2013.809715
 Degree: -

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Title: High Pressure Research
Source Genre: Journal
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Pages: - Volume / Issue: 33 (3 Sp. Iss. SI) Sequence Number: - Start / End Page: 684 - 696 Identifier: ISSN: 0895-7959