论文标题
CRPA计算$ lanio_2 $的现场和最近的邻居库仑相互作用
cRPA calculation of on-site and nearest neighbor Coulomb interaction of $LaNiO_2$
论文作者
论文摘要
我们使用约束的随机相位近似方法提出了现场和最近的邻居库仑相互作用强度的第一原则计算。当考虑频率$ u（ω）$时，NI-O平面中最近的邻居相关性更为重要，在中和高频下，其强度约为现场值的25 \％。发现NI-O平面最接近的邻居相关性与NI-O平面内的强度相同，表明该材料在NI-O平面之间也非局部相关。
We present first-principle calculation of the on-site and nearest neighbor Coulomb interaction strength of the Ni $d$ orbitals in bulk $LaNiO_{2}$, using the constrained Random Phase Approximation method. The nearest neighbor correlation within Ni-O plane turns out to be more significant when considering the frequency dependent $U(ω)$, which can be as strong as about 25\% of the on-site value at medium and high frequencies. The inter Ni-O plane nearest neighbor correlation is found to be the same strength as that within the Ni-O plane, indicating the material is non-locally correlated also between the Ni-O planes.
