Bruno P
Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany.
Phys Rev Lett. 2003 Feb 28;90(8):087205. doi: 10.1103/PhysRevLett.90.087205. Epub 2003 Feb 27.
The "magnetic force theorem" is frequently used to compute exchange interaction parameters and adiabatic spin-wave spectra of ferromagnets. The interest of this approach is that it allows one to obtain these results from a non-self-consistent calculation of the (single-electron) band energy only, which greatly reduces the computational effort. However, as discussed by various authors, this approach entails some systematic error. Here, a "renormalized magnetic force theorem" allows us to remove this systematic error without significantly increasing the computational effort involved. For systems with one atom per unit cell, it amounts to a simple renormalization of the spin-wave spectrum.
“磁力定理”经常被用于计算铁磁体的交换相互作用参数和绝热自旋波谱。这种方法的优点在于，它允许人们仅通过对（单电子）能带能量进行非自洽计算来获得这些结果，这极大地减少了计算量。然而，正如许多作者所讨论的，这种方法存在一些系统误差。在此，“重整化磁力定理”使我们能够消除这种系统误差，而不会显著增加所涉及的计算量。对于每个晶胞含一个原子的系统，它相当于对自旋波谱进行简单的重整化。
