P-BBT-C8-COOCs

Electron Structure:

HOMO (eV)

gap (eV)

LUMO (eV)

λ_e (eV)

λ_h (eV)

5.409

2.586

2.823

0.063

0.222

IP(eV)

5.409

GaP(eV)

2.586

EA(eV)

2.823

λ electron(eV)

0.063

λ hole(eV)

0.222

Band Structure: 

Density of States: 

VBM: 

CBM: 

Dielectric and Optical Properties:

Static Dielectric Constant Matrix:

Frequency Dependent Dielectric Constant:

Structure:

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Other:

Cohesive Energy (eV)

Mass Density (g/cm³)

Elastic Moduli (eV/ Å)

-0.182

Cohesive Energy(eV)

Mass Density(g/cm3)

-0.182