Host: Defect: ID: DOI:

Si

Zr

qdg-439

Defect Details

Defect Type: Substitution

Charge: -2

Point Group: Td

Charge Stability Range: 0.119

Spin Multiplicity: 3

Optical Properties

Excitation energy ΔKS (eV): 0.1819

Transition Dipole Moment (D): 40.2258

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level
-2/-1 1.1875
-2/-3 1.3688