ELECTRONIC STRUCTURE OF MIXED VALENT SYSTEMS

Condensed Matter Physics

关键词: strongly correlated systems;    optics;    band structure;   

DOI  :  10.5488/CMP.7.2.211

来源: DOAJ

【 摘 要 】

The electronic structure of Tm and Sm monochalcogenides, SmB₆ and Yb₄As₃ is theoretically investigated from the first principles, using the fully relativistic Dirac LMTO band structure method. The electronic structure is obtained using the local spin-density approximation (LSDA), as well as the so-called LSDA+U approach. While the standard LSDA approach is incapable of correctly describing the electronic structure of such materials due to the strong on-site Coulomb repulsion, the LSDA+U approach is remarkably accurate in providing a detailed agreement with experiment for a number of properties.

【 授权许可】

Unknown