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

MPS-Authors
http://pubman.mpdl.mpg.de/cone/persons/resource/persons126634

Guo,  K.
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons126806

Prots,  Y.
Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons126838

Schnelle,  W.
Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons126783

Niewa,  R.
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons126841

Schwarz,  U.
Ulrich Schwarz, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

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.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0015-1E74-9
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.