Department of Physics, Boston College, Chestnut Hill, Massachusetts 02467, USA.
Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.
Phys Rev Lett. 2018 Nov 30;121(22):227002. doi: 10.1103/PhysRevLett.121.227002.
We study the electronic structure and superconductivity in a CuO_{2} monolayer grown recently on the d-wave cuprate superconductor Bi_{2}Sr_{2}CaCu_{2}O_{8+δ}. Density functional theory calculations indicate a significant charge transfer across the interface such that the CuO_{2} monolayer is heavily overdoped into the hole-rich regime yet inaccessible in bulk cuprates. We show that both the Cu d_{x^{2}-y^{2}} and d_{3z^{2}-r^{2}} orbitals become important and the Fermi surface contains one electron and one hole pocket associated with the two orbitals, respectively. Constructing a minimal correlated two-orbital model for the e_{g} complex, we show that the spin-orbital exchange interactions produce a nodeless superconductor with extended s-wave pairing symmetry and a pairing energy gap comparable to the bulk d-wave gap, in agreement with recent experiments. The findings point to a direction of realizing new high-T_{c} superconductors in ozone grown transition-metal-oxide monolayer heterostructures.
我们研究了最近在 d 波铜酸盐超导体 Bi_2Sr_2CaCu_2O_8+δ 上生长的 CuO_2 单层中的电子结构和超导性。密度泛函理论计算表明,界面处发生了显著的电荷转移,使得 CuO_2 单层被强烈掺杂到富含空穴的区域,但在块状铜酸盐中无法达到。我们表明,Cu 的 d_{x^{2}-y^{2}}和 d_{3z^{2}-r^{2}}轨道都变得很重要,费米面包含一个电子和一个空穴口袋,分别与这两个轨道相关联。构建一个针对 e_{g} 杂化轨道的最小关联双轨道模型,我们表明,自旋轨道交换相互作用产生了一个没有节点的超导体,具有扩展的 s 波配对对称性和与块状 d 波间隙相当的配对能隙,这与最近的实验结果一致。这些发现为在臭氧生长的过渡金属氧化物单层异质结构中实现新型高 T_c 超导体指明了一个方向。