Joint Center for Artificial Photosynthesis, CA, USA; Materials Sciences Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 66, Berkeley, CA, 94720, USA.
Adv Mater. 2014 Jan 15;26(2):311-5. doi: 10.1002/adma.201302727. Epub 2013 Oct 8.
First-principles calculations show that ZnSnN2 has a very small formation enthalpy, and the donor defects such as SnZn antisites and ON impurities have high concentration, making the material degenerately n-type, which explains the observed high electron concentration. ZnSnN2 can be regarded as a new material that combines a metal-like conductivity with an optical bandgap around 2 eV.
第一性原理计算表明，ZnSnN2 的形成焓非常小，施主缺陷（如 SnZn 反位和 ON 杂质）具有很高的浓度，使材料简并 n 型，这解释了观察到的高电子浓度。ZnSnN2 可以被视为一种新材料，它将金属样的导电性与约 2 eV 的光学带隙结合在一起。
