English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

Antiferromagnetic structure and electronic properties of BaCr2As2 and BaCrFeAs2

MPS-Authors
/persons/resource/persons205383

Filsinger,  Kai A.
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126838

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

/persons/resource/persons126506

Adler,  Peter
Peter Adler, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126599

Fecher,  Gerhard H.
Gerhard Fecher, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126601

Felser,  Claudia
Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

External Resource
No external resources are shared
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)
There are no public fulltexts stored in PuRe
Supplementary Material (public)
There is no public supplementary material available
Citation

Filsinger, K. A., Schnelle, W., Adler, P., Fecher, G. H., Reehuis, M., Hoser, A., et al. (2017). Antiferromagnetic structure and electronic properties of BaCr2As2 and BaCrFeAs2. Physical Review B, 95(18): 184414, pp. 1-13. doi:10.1103/PhysRevB.95.184414.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002D-5867-D
Abstract
Recent theoretical studies suggest that superconductivity may be found in doped chromium pnictides with crystal structures similar to their iron counterparts. Here, we report a comprehensive study on the magnetic arsenides BaCr2As2 and BaCrFeAs2 (space group I4/mmm), which are possible mother compounds with d(4) and d(5) electron configurations, respectively. DFT-based calculations of the electronic structure evidence metallic antiferromagnetic ground states for both compounds. By powder neutron diffraction, we confirm for BaCr2As2 a robust ordering in the antiferromagnetic G-type structure at T-N = 580 K with mu(Cr) = 1.9 mu(B). Anomalies in the lattice parameters point to magnetostructural coupling effects. In BaCrFeAs2, the Cr and Fe atoms randomly occupy the transition-metal site and G-type order is found below 265 K with mu Cr/Fe = 1.1 mu(B). Fe-57 Mossbauer spectroscopy demonstrates that only a small ordered moment is associated with the Fe atoms, in agreement with electronic structure calculations leading to mu(Fe) similar to 0. The temperature dependence of the hyperfine field does not follow that of the total moments. Both compounds are metallic but show large enhancements of the linear specific heat. Electrical transport in BaCrFeAs2 is dominated by the atomic disorder and the partial magnetic disorder of Fe. Our results indicate that Neel-type order is unfavorable for Fe moments and thus it is destabilized with increasing Fe content.