Spin-wave dispersion of 3d ferromagnets based on quasiparticle self-consistent GW calculations
Spin-wave dispersion of 3d ferromagnets based on quasiparticle self-consistent GW calculations
复制标题
基于准粒子自洽 GW 计算的三维铁磁体自旋波色散
DOI：
10.1103/physrevb.100.054419
复制
发表时间：
2019-08-14
影响因子：
3.7
通讯作者：
Kotani, T.
中科院分区：
文献类型：
--
作者：
Okumura, H.;Sato, K.;Kotani, T.
我们在准粒子自洽GW（QSGW）方法确定的基态的基础上，计算横向自旋磁化率的线性响应方法。然后，我们提取自旋波（SW）色散的磁化率。我们处理bcc Fe，hcp Co，fcc Ni和B2型FeCo。由于在QSGW中更好地描述了独立粒子的图像，计算的自旋刚度常数的Fe，Co，和Ni给更好的协议，在QSGW比那些在局域密度近似（LDA）的实验，LDA中的刚度Ni是在实验中的两倍。对于Co，声和光分支的SW同意与实验。对于FeCo，量子自旋波导的自旋刚度与实验结果有一定的差异。我们可能需要进一步的理论和实验研究的差异。
We calculate transverse spin susceptibility in the linear response method based on the ground states determined in the quasiparticle self-consistent GW (QSGW) method. Then we extract spin-wave (SW) dispersions from the susceptibility. We treat bcc Fe, hcp Co, fcc Ni, and B2-type FeCo. Because of the better description of the independent-particle picture in QSGW, calculated spin stiffness constants for Fe, Co, and Ni give much better agreement with experiments in QSGW than those in the local density approximation (LDA); the stiffness for Ni in LDA is two times greater than in experiment. For Co, both acoustic and optical branches of SWs agree with experiment. As for FeCo, we have some discrepancy between the spin stiffness in QSGW and that in experiment. We may need further theoretical and experimental investigations on the discrepancy.