摘要
利用过渡金属钒、铬和钼的能带结构,在随机相位近似的基础上,考虑到电子的交换相关作用计算了这些金属的增强磁化率与波矢量q的依赖关系。计算结果表明,对于铬存在与晶格矢量的大小不相同的自旋密度波矢量而具反铁磁性,而其邻近的钒和钼却没有这种自旋密度波并具顺磁性。这些与实验结果很好地一致。
By using the band structure of transition metals V,Cr and Mo and considering the exchange-correlation potential correction to the random-phase-approximation the enhanced magnetic susceptibilities have been calculated The results show that chromium is antiferromagnetic because there is a wave vector of spin-density-wave which has a wavelength incommensurate with the lattice constant in Cr.while vanadium and molybdenum are paramagnetic since there arc no spin-density -waves in them even though their band structures are almost identical with that of chromium These results are in good agreement with experiments.
基金
国家自然科学基金
中科院物理所磁学开放实验室部分资助
关键词
钒
铬
钼
过渡金属
磁性
band structure
spin-density-wave
exchange-correlation potential
enhanced suscep tibility
