arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1111.7046cond-mat.supr-con
收藏

可能的铁基超导体BaFe2Se3的电子和磁性结构

Electronic and Magnetic Structure of Possible Iron Based Superconductor BaFe2Se3

M. V. Medvedev, I. A. Nekrasov, M. V. Sadovskii

摘要:

本文给出了可能的铁基超导体BaFe_2Se_3(Ba_(123))正常(顺磁)相的LDA计算结果(能带结构、态密度、费米面)。结果进行了简要比较原型BaFe_2As_2和(K,Cs)Fe_2Se_2超导体的类似数据。在未掺杂的情况下,该体系是反铁磁的,T_N^{exp}~ 250 K,磁结构相当复杂。中子衍射实验表明,可能存在两种自旋结构(反铁磁有序的“斑块”或“斑块”),中子散射无法区分。用LSDA计算的交换参数,在分子场近似下估算了两种自旋结构的Neel温度,并表明τ_1(“斑”)自旋组态比τ_2(“斑”)自旋组态更有利。

英文摘要:

We present results of LDA calculations (band structure, densities of states, Fermi surfaces) for possible iron based superconductor BaFe2Se3 (Ba123) in normal (paramagnetic) phase. Results are briefly compared with similar data on prototype BaFe2As2 and (K,Cs)Fe2Se2 superconductors. Without doping this system is antiferromagnetic with T_N^{exp}~250K and rather complicated magnetic structure. Neutron diffraction experiments indicated the possibility of two possible spin structures (antiferromagnetically ordered "plaquettes" or "zigzags"), indistinguishable by neutron scattering. Using LSDA calculated exchange parameters we estimate Neel temperatures for both spin structures within the molecular field approximation and show τ_1 ("plaquettes") spin configuration to be more favorable than τ_2 ("zigzags").

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑