This title appears in the Scientific Report :
2016
Please use the identifier:
http://dx.doi.org/10.1107/S2052520615023057 in citations.
The low-temperature crystal structure of the multiferroic melilite Ca$_{2}$ CoSi$_{2}$ O$_{7}$
The low-temperature crystal structure of the multiferroic melilite Ca$_{2}$ CoSi$_{2}$ O$_{7}$
In the antiferromagnetic ground state, below TN ≃ 5.7 K, Ca2CoSi2O7 exhibits strong magnetoelectric coupling. For a symmetry-consistent theoretical description of this multiferroic phase, precise knowledge of its crystal structure is a prerequisite. Here we report the results of single-crystal neutr...
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Personal Name(s): | Sazonov, Andrew (Corresponding author) |
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Hutanu, Vladimir / Meven, Martin / Roth, Georg / Kézsmárki, István / Murakawa, Hiroshi / Tokura, Yoshinori / Náfrádi, Bálint | |
Contributing Institute: |
Streumethoden; JCNS-2 JCNS-FRM-II; JCNS-FRM-II |
Published in: | Acta crystallographica / B, 72 (2016) 1, S. 126 - 132 |
Imprint: |
Oxford [u.a.]
Wiley-Blackwell
2016
|
PubMed ID: |
26830804 |
DOI: |
10.1107/S2052520615023057 |
Document Type: |
Journal Article |
Research Program: |
Quantum Condensed Matter: Magnetism, Superconductivity FRM II / MLZ Jülich Centre for Neutron Research (JCNS) |
Subject (ZB): | |
Publikationsportal JuSER |
In the antiferromagnetic ground state, below TN ≃ 5.7 K, Ca2CoSi2O7 exhibits strong magnetoelectric coupling. For a symmetry-consistent theoretical description of this multiferroic phase, precise knowledge of its crystal structure is a prerequisite. Here we report the results of single-crystal neutron diffraction on Ca2CoSi2O7 at temperatures between 10 and 250 K. The low-temperature structure at 10 K was refined assuming twinning in the orthorhombic space group P2(1)2(1)2 with a 3 × 3 × 1 supercell [a = 23.52 (1), b = 23.52 (1), c = 5.030 (3) Å] compared with the high-temperature normal state [tetragonal space group P42(1)m, a = b ≃ 7.86, c ≃ 5.03 Å]. The precise structural parameters of Ca2CoSi2O7 at 10 K are presented and compared with the literature X-ray diffraction results at 130 and 170 K (low-temperature commensurate phase), as well as at ∼ 500 K (high-temperature normal phase). |