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篇目详细内容

【篇名】 Electronic and magnetic structures of chain structured iron selenide compounds
【刊名】 Frontiers of Physics
【刊名缩写】 Front. Phys.
【ISSN】 2095-0462
【EISSN】 2095-0470
【DOI】 10.1007/s11467-014-0428-y
【出版社】
【出版年】 2014
【卷期】 9 卷4期
【页码】 465-471 页,共 7 页
【作者】 Wei Li; Chandan Setty; X. H. Chen; Jiangping Hu;
【关键词】 first-principles calculations|magnetism|spin-wave excitations

【摘要】

Electronic and magnetic structures of iron selenide compounds Ce2O2FeSe2 (2212*) and BaFe2Se3 (123*) are studied by the first-principles calculations. We find that while all these compounds are composed of one-dimensional (1D) Fe chain (or ladder) structures, their electronic structures are not close to be quasi-1D. The magnetic exchange couplings between two nearest-neighbor (NN) chains in 2212*and between two NN two-leg-ladders in 123*are both antiferromagnetic (AFM), which is consistent with the presence of significant third NN AFM coupling, a common feature shared in other iron-chalcogenides, FeTe (11*) and KyFe2-xSe2 (122*). In magnetic ground states, each Fe chain of 2212*is ferromagnetic and each two-leg ladder of 123*form a block-AFM structure. We suggest that all magnetic structures in iron-selenide compounds can be unified into an extended J1J2J3 model. Spin-wave excitations of the model are calculated and can be tested by future experiments on these two systems.

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