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ID: 671478.0, MPI für Chemische Physik fester Stoffe / publications 2013
High pressure high-temperature behavior and magnetic properties of Fe4N: experiment and theory
Authors:Guo, K.; Rau, D.; von Appen, J.; Prots, Y.; Schnelle, W.; Dronskowski, R.; Niewa, R.; Schwarz, U.
Language:English
Date of Publication (YYYY-MM-DD):2013-08-20
Title of Journal:High Pressure Research
Volume:33
Issue / Number:3 Sp. Iss. SI
Start Page:684
End Page:696
Review Status:not specified
Audience:Not Specified
Abstract / Description: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.
External Publication Status:published
Document Type:Article
Communicated by:Ina Werner
Affiliations:MPI für chemische Physik fester Stoffe
Identifiers:ISI:000327006700022 [ID No:1]
ISSN:0895-7959 [ID No:2]
DOI:10.1080/08957959.2013.809715
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