Single-molecule magnetism by quantum chemistry methods: Fe ions within the Li3N lattice and fullerene-encapsulated 4f-electron compounds
Subject Area
Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
Theoretical Chemistry: Molecules, Materials, Surfaces
Theoretical Condensed Matter Physics
Term
from 2017 to 2022
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 353471114
Final Report Year
2021
No abstract available
Publications
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Selective arcdischarge synthesis of Dy2Sclusterfullerenes and their isomerdependent single molecule magnetism, Chem. Sci. 8, 6451 (2017)
C H Chen, D S Krylov, S Avdoshenko, F Liu, L Spree, R Yadav, A Alvertis, L Hozoi, K Nenkov A Kostanyan, T Greber, A U B Wolter, and A A Popov
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Spinreversal energy barriers of 305 K for Fe2+ d6 ions with linear ligand coordination, Nanoscale 9, 10596 (2017)
L Xu, Z Zangeneh, R Yadav, S Avdoshenko, J van den Brink, A Jesche, and L Hozoi
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NaYbS2: A planar spin1/2 triangularlattice magnet and putative spin liquid, Phys. Rev. B 98, 220409(R) (2018)
M Baenitz, Ph Schlender, J Sichelschmidt, Y A Onykiienko, Z Zangeneh, K M Ranjith, R Sarkar, L Hozoi, H C Walker, JC Orain, H Yasuoka, J van den Brink, H H Klauss, D S Inosov, and T Doert
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Ferromagnetic ordering of linearly coordinated Co ions in LiSr2[CoN2], Phys. Rev. B 99, 094422 (2019)
T J Ballé, Z Zangeneh, L Hozoi, A Jesche, and P Höhn
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Singlesite magnetic anisotropy governed by interlayer cation charge imbalance in triangularlattice AYbX2, Phys. Rev. B 100, 174436 (2019)
Z Zangeneh, S Avdoshenko, J van den Brink, and L Hozoi
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Energy scales in 4f1 delafossite magnets: crystalfield splittings larger than the strength of spinorbit coupling in KCeO2, Phys. Rev. Materials 4, 124001 (2020)
M S Eldeeb, T Petersen, L Hozoi, V Yushankhai, and U K Rößler
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Longrange magnetic order in the Š=1/2 triangularlattice antiferromagnet KCeS2, SciPost Phys. 9, 041 (2020)
G Bastien, B Rubrecht, E Haeussler, P Schlender, Z Zangeneh, S Avdoshenko, R Sarkar, A Alfonsov, S Luther, Y A Onykiienko, H C Walker, H Kühne, V Grinenko, Z Guguchia, V Kataev, HH Klauss, L Hozoi, J van den Brink, D S Inosov, B Büchner, A U B Wolter, and T Doert
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Terahertz MagnetoOptical Excitations of the sdHybrid States of Lithium Nitridocobaltate Li2(Li1xCox)N, Inorg. Chem. 60 4497 (2021)
C Albert, T J Ballé, F A Breitner, Y Krupskaya, A Alfonsov, Z Zangeneh, S Avdoshenko, M S Eldeeb, L Hozoi, A Vilangottunjalil, E Haubold, A Charnukha, B Büchner, A Jesche, and V Kataev
DFG Programme
Research Grants
International Connection
France, USA
