Electronic structure and correlation of La$_4$Co$_2$NiO$_8$Cl$_2$: a theoretical proposal for a La$_4$Ni$_3$O$_{10}$-like high-temperature superconductor

Si-Yong Jia; Jing-Xuan Wang; Jian-Hong She; Rong-Qiang He; Zhong-Yi Lu

paper

Electronic structure and correlation of La $_{4}$ Co $_{2}$ NiO $_{8}$ Cl $_{2}$ : a theoretical proposal for a La $_{4}$ Ni $_{3}$ O $_{10}$ -like high-temperature superconductor

arXiv:2604.01223

Abstract

Based on the discovery of high-temperature superconductivity in the bilayer nickelate La $_{3}$ Ni $_{2}$ O $_{7}$ , several Co-based La $_{3}$ Ni $_{2}$ O $_{7}$ -like materials were theoretically predicted as possible high-temperature superconductors by electron doping. Motivated by these findings and the subsequent discovery of superconductivity in the trilayer nickelate La $_{4}$ Ni $_{3}$ O $_{10}$ under high pressure, we propose and investigate a Co-based La $_{4}$ Ni $_{3}$ O $_{10}$ -like material. With electron doping to the high-pressure trilayer cobaltate La $_{4}$ Co $_{3}$ O $_{10}$ , using density functional theory combined with dynamical mean-field theory (DFT+DMFT), we find that the resulting compound La $_{4}$ Co $_{2}$ NiO $_{8}$ Cl $_{2}$ exhibits a crystal structure and a strongly correlated electronic structure similar to those of La $_{4}$ Ni $_{3}$ O $_{10}$ under high pressure. This suggests that this new compound may host high-temperature superconductivity.

7 pages, 3 figures, 2 tables

Electronic structure and correlation of La4​Co2​NiO8​Cl2​: a theoretical proposal for a La4​Ni3​O10​-like high-temperature superconductor

Abstract

Electronic structure and correlation of La $_{4}$ Co $_{2}$ NiO $_{8}$ Cl $_{2}$ : a theoretical proposal for a La $_{4}$ Ni $_{3}$ O $_{10}$ -like high-temperature superconductor