But, in spite of the many-body correction, the GWA results is not completely consistent with the PES experimental results due to small shifting of the Ru t 2 g bands and small broadening of the valance states specially in the Ca-based system. Inclusion of Coulomb correlation by LSDA+ U ...
发明名称: LED壁灯(LSDAGL013A) 发明人: 葛东伟;陈金耀;张琤 申请人: 厦门龙胜达照明电器有限公司 申请日期: 2021-12-15 申请公布日期: 2022-04-26 代理机构: 厦门市首创君合专利事务所有限公司 代理人: 张松亭 地址: 361100福建省厦门市翔安区内厝镇上塘村内厝363号之2688室 摘要: 1.本外观设计产品的名...
We perform ab initio electronic structure calculations of the intermetallic compound CeFeGe3 by means of the Tight Binding Linear Muffin-Tin Orbitals-Atomic Sphere Approximation (TB-LMTO-ASA) within the Local Spin Density Approximation containing the so-called Hubbard correction term (LSDA+U^SIC), ...
外部播放此歌曲> Suntheca Prod. - Blue Horizon 专辑:Royal Lounge Vol.3 歌手:Suntheca Prod. 还没有歌词哦
At first, the DOS of SrRuO3 and CaRuO3 is obtained using the full potential linearized augmented plane wave method by LSDA. We have then calculated the electronic structure, dielectric function, self-energy, and spectral function for the bulk SrRuO3 and CaRuO3 by GWA. The shifting of the ...