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  New Mn2-based Heusler Compounds

Kreiner, G., Kalache, A., Hausdorf, S., Alijani, V., Qian, J.-F., Shan, G., et al. (2014). New Mn2-based Heusler Compounds. Zeitschrift für anorganische und allgemeine Chemie, 640(5), 738-752. doi:10.1002/zaac.201300665.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0018-BBAC-4 Version Permalink: http://hdl.handle.net/21.11116/0000-0004-8231-1
Genre: Journal Article

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 Creators:
Kreiner, Guido1, Author              
Kalache, Adel2, Author              
Hausdorf, Steffen3, Author              
Alijani, Vajiheh3, Author              
Qian, Jin-Feng2, Author              
Shan, Guangcun2, Author              
Burkhardt, Ulrich4, Author              
Ouardi, Siham5, Author              
Felser, Claudia6, Author              
Affiliations:
1Guido Kreiner, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863433              
2Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
3Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
4Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
5Siham Ouardi, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863439              
6Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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 Abstract: Mn2-based Heusler compounds have attracted a great deal of interest as half-metallic ferri- and ferromagnets and as materials for spintronic applications. In this paper, we report the synthesis, crystal structure, and disorder type of the new Heusler compounds Mn2RuGe, Mn2RhGa, and the redetermination of the crystal structure of Mn2RuSn. They crystallize cubic with L21b structure type in Fmequation imagem, which is an inverse Heusler structure with a transition metal disorder of the type (Mn0.5,Y0.5)2MnZ (Y = Ru or Rh and Z = Ge, Ga or Sn). It is shown that an inverse Heusler structure can generally gain stability through the configurational part of the entropy of mixing at elevated temperatures without loosing too much enthalpy in the configurational part of the enthalpy of mixing owing to a special bond arrangement in the inverse type structure. The enthalpy of formation of transition-metal-based Heusler compounds and Al, Ga, and Ge as the main group metals obtained from DFT calculations and experimental data are used to confirm Burch's rule, which predicts the stability of transition-metal-based inverse Heusler compounds. Alloying tendencies as manifested in binary phase diagrams and the enthalpies obtained from the Miedema model are correlated with the stability of Heusler compounds. Burch's rule is in excellent agreement with the current available experimental data. The DFT data and general alloying tendencies show that deviations are expected from this rule. Miedema's model allows the estimation of the enthalpy of formation for the transition- and main group metal-based Heusler compounds, except for those having period 6 elements and Pd.

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 Dates: 2014-04-01
 Publication Status: Published in print
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 Identifiers: DOI: 10.1002/zaac.201300665
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Title: Zeitschrift für anorganische und allgemeine Chemie
  Other : Journal of Inorganic and General Chemistry
  Other : J. Inorg. Gen Chem.
  Other : Zeitschrift fuer Anorganische und Allgemeine Chemie
  Abbreviation : Z. Anorg. Allg. Chem.
Source Genre: Journal
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Publ. Info: Weinheim : WILEY-VCH Verlag GmbH & Co. KGaA
Pages: - Volume / Issue: 640 (5) Sequence Number: - Start / End Page: 738 - 752 Identifier: ISSN: 0044-2313
CoNE: /journals/resource/954925453895