Department of Chemistry , North Carolina State University (NCSU) , Raleigh , North Carolina 27695-8204 , United States.
Department of Chemistry and Biochemistry , California State University-Long Beach , Long Beach , California 90840 , United States.
Inorg Chem. 2018 Aug 20;57(16):9782-9785. doi: 10.1021/acs.inorgchem.8b01494. Epub 2018 Aug 1.
A magnetic solid with weak spin frustration tends to adopt a noncollinear magnetic structure such as a cycloidal structure below a certain temperature and a spin-density wave (SDW) slightly above this temperature. The causes for these observations were explored by studying the magnetic structure of BaYFeO, which undergoes a SDW and a cycloidal phase transition below 48 and 36 K, respectively, in terms of the density functional theory calculations. We show that a SDW structure arises from a superposition of two magnetic states of opposite chirality, an SDW state precedes a chiral magnetic state because of the lattice relaxation, and whether a SDW is transversal or longitudinal is governed by the magnetic anisotropy of magnetic ions.
具有弱自旋阻挫的磁性固体往往在一定温度以下采用非共线磁结构，如回旋结构，在略高于该温度时采用自旋密度波（SDW）结构。通过对 BaYFeO 的磁性结构进行密度泛函理论计算，研究了这些观察结果的原因，BaYFeO 在 48 和 36 K 以下分别经历 SDW 和回旋相转变。我们表明，SDW 结构是由两种相反手性的磁态叠加而成，由于晶格弛豫，SDW 状态先于手性磁状态，SDW 是横向还是纵向取决于磁性离子的磁各向异性。
