关注: 1) Raman光谱 2) 超导温度计算 摘录: 红外与Raman:与电荷极化有什么关系? 与原子振动之间的关系 Spin polarization was included in all calculations. In the antiferromagnetic (AFM) calculations, we used the collinear 1- k AFM structure where the atomic spin moment was alo ...
关注: 1) Hydrogen motifs的定义与判断 2) Hydrogen motifs与超导温度的关系 From Dr.Peng's paper (一) 超导电性起源 Two properties of metallic hydrides are particularly beneficial for promoting high-Tc superconductivity: (i) a large H-derived electroni c density of ...