Achieving band convergence by tuning the bonding ionicity in n-type Mg 3 Sb 2

Sun, Xin; Li, Xin; Yang, Jiong (Corresponding author); Xi, Jinyang; Nelson, Ryky; Ertural, Christina; Dronskowski, Richard (Corresponding author); Liu, Weishu; Snyder, Gerald J.; Singh, David J.; Zhang, Wenqing (Corresponding author)

New York, NY [u.a.] : Wiley (2019)
Journal Article

In: Journal of computational chemistry
Volume: 40
Issue: 18
Page(s)/Article-Nr.: 1693-1700