Zhang, Xiangyu; Chen, Yunlei; Sun, Yongfang; Ye, Tian-Nan; … - 2022
Inspired by the recent demonstration that subnitride Ba 3 N consisting of one-dimensional (1D) [Ba 3 N] 3+ chain is electride, we have studied on three subnitrides (LiBa 3 N, NaBa 3 N and Na 5 Ba 3 N) containing 1D [Ba 3 N] 3+ chains based on first-principles calculation. The electron...