首页> 外文期刊>Solid State Communications >Ab initio studies on magnetism and hybridization of the ternary germanide Ce3Ni2Ge7
【24h】

Ab initio studies on magnetism and hybridization of the ternary germanide Ce3Ni2Ge7

机译:Ab initio studies on magnetism and hybridization of the ternary germanide Ce3Ni2Ge7

获取原文
获取原文并翻译 | 示例
           

摘要

We perform a theoretical investigation on the magnetism and orbital hybridization in ternary germanide Ce3Ni2Ge7 using the full-potential linearized augmented plane wave method (FP_LAPW) based on the density functional theory (DFT). The calculation with local spin density approximation (LSDA) predicts that there are two states for the Ce atoms due to the different environment: one (Ce-1) is near the nonmagnetic state and the other (Ce-2) is localized and magnetic. The orbital hybridization plays a key role in determining the state of Ce. On adding on-site Coulomb potential to the localized Ce-2-4f orbit, the magnetic moment obtained from our calculation fits well with the experimental value.

著录项

获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号