Hello QuantumATK Staff,
I am interested in determining the total interface trap density at a given interface using the LDOS (eV-1* Ang-3) results (please see "ldos_example_interface_states.png" below). I have tried to integrate the LDOS with respect to energy at the interface region (Z - Zint = 0 Angstroms, blue rectangular region) across a 10 Angstrom region along with a unit conversion to cm-2, but I always seem to get a value that is > 1e14 cm-2. This is far too high in comparison to outside literature. I wanted to ask if the LDOS magnitudes are quantitatively meaningful to perform integration on them or if I should avoid doing this? I notice that when I evaluate the LDOS magnitudes at Z - Zint = 0 Angstroms (please see "ldos_example_z_slice_z_zint_0.png"), the magnitude is between 1e18 to 1e23 eV-1* cm-3 which is really high. Looking at the LDOS magnitudes 200 Angstroms to the left of the interface region shows a floor value around 1e16 to 1e17 eV-1* cm-3 (please see "ldos_example_z_slice_z_zint_n200.png"). If integration for obtaining the total interface trap density is valid, I am not sure if I simply subtract the LDOS magnitude of the -200 Angstrom position from the LDOS magnitude of the 0 Angstrom position, shift the LDOS magnitude to start at 1e16 eV-1* cm-3 , or just normalize the magnitude? I can provide any other files and clarify my question(s) if necessary. Thank you in advance.
