Phase transformation in quasi-two-dimensional quantum antiferromagnet Cu(tn)Cl.sub.2./sub. (tn = 1,3-diaminopropane)

0561803 - FZÚ 2023 RIV US eng J - Journal Article
Correa, Cinthia Antunes - Poupon, Morgane - Petříček, Václav - Tarasenko, R. - Mihálik, M. - Legut, D. - Wdowik, U. D. - Orendáčová, A.
Phase transformation in quasi-two-dimensional quantum antiferromagnet Cu(tn)Cl₂ (tn = 1,3-diaminopropane).
Journal of Physical Chemistry C. Roč. 126, č. 34 (2022), s. 14573-14580. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA MŠMT(CZ) EF16_019/0000760; GA ČR(CZ) GA18-10504S
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:68378271
Keywords : total-energy calculations * antisymetric exchange * magnetostructural correlations * temperature * transition * EPR
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.7, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcc.2c04261

Cu(tn)Cl2 belongs to family of molecular magnets with low-dimensional magnetism mediated by hydrogen bonds. Here, the X-ray diffraction, electron paramagnetic resonance, specific heat measurements, and ab initio calculations performed within the framework of density functional theory have been employed to investigate the structural phase transition in Cu(tn)Cl2. Satellite reflections in the X-ray diffraction pattern from single crystals, visible anomaly in the specific heat measured in a zero magnetic field, rapid growth of the EPR resonance line width, along with the increase of the g-factors in the vicinity of 160 K are indicative of the structural phase transition in Cu(tn)Cl2.
Permanent Link: https://hdl.handle.net/11104/0334315