Correlated Li-ion migration in the superionic conductor LiGePS

Yajima, Takeshi*; Hinuma, Yoyo*; Hori, Satoshi*; Iwasaki, Rui*; Kanno, Ryoji*; Ohara, Takashi   ; Nakao, Akiko*; Munakata, Koji*; Hiroi, Zenji*

Herein, we studied the crystalline compound LiGePS with the largest Li-ion conductivity thus far via a novel route based on a combination of single-crystal neutron diffraction experiments at low temperature and first-principles calculations, and found that a correlated migration of the densely packed Li ions governs the overall Li-ion conduction. The correlated migration mechanism provides us with guidelines on how to design efficient superionic conductors for more efficient batteries.