Host: Defect: ID: DOI:

WS2

Ir

qdg-1321

Defect Details

Defect Type: Substitution

Charge: 0

Point Group: D3h

Charge Stability Range: 0.209

Spin Multiplicity: 4

Optical Properties

Excitation energy ΔKS (eV): 0.9698

Transition Dipole Moment (D): 0.5159

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level
0/1 1.3958
0/-1 1.8761