Predicted novel insulating electride compound between alkali metals lithium and sodium under high pressure

Chen Yang-Mei^{1, 2}, Geng Hua-Yun^{2, †}, Yan Xiao-Zhen³, Wang Zi-Wei², Chen Xiang-Rong^{1, ‡}, Wu Qiang^{2, §}

(color online) (a)–(c) Electronic band structures of Li–Na at selected pressures. The red dashed line denotes the Fermi energy. (d) Bandgaps calculated by PBE and GW as a function of pressure.