Mean-field approach for Anderson-type off-diagonal disorder
Mean-field approach for Anderson-type off-diagonal disorder
复制标题
安德森型非对角无序的平均场方法
DOI：
10.1103/physrevb.106.214205
复制
发表时间：
2022-12
影响因子：
3.7
通讯作者：
Youqi Ke
中科院分区：
文献类型：
--
作者：
Qi Wei;Jianxiong Zhai;Zhijun Ning;Youqi Ke
We report a generalized auxiliary coherent medium theory to settle the longstanding challenge of Anderson-type off-diagonal disorder (AODD) for simulating disordered alloys. The AODD is transformed into a diagonal-like disorder with a weighted discrete distribution in an auxiliary medium. This approach is demonstrated for simulating the phonon spectral in NiFe and NiPt alloys, and it is found that accounting for AODD substantially enhances the phonon linewidth to agree well with the supercell and experimental results, compared to results with averaged-value ODD. This paper provides an effective approach to treat the large fluctuation in ODD in disordered materials, presenting an important progress for mean-field simulations in the embedding framework.
