title: Phase stability and defect physics of a ternary ZnSnN(2) semiconductor: first principles insights.
abstract: 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.
authors.affiliation: Joint Center for Artificial Photosynthesis, CA, USA; Materials Sciences Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 66, Berkeley, CA, 94720, USA.
authors.forename: Shiyou
authors.initials: S
authors.lastname: Chen
authors.forename: Prineha
authors.initials: P
authors.lastname: Narang
authors.forename: Harry A
authors.initials: HA
authors.lastname: Atwater
authors.forename: Lin-Wang
authors.initials: LW
authors.lastname: Wang
keywords: ZnSnN2 semiconductor; carrier concentration; defects; first principles calculation; phase stability