DOI: 10.5281/zenodo.17733600
title: Replication data and input files for: Excitonic contributions to dark matter-electron scattering

description: Input files for the all-electron code Exciting and band structure data:



DFT band band structure data and used input file in Exciting for GaAs and NaI; data shown in Fig. S1 in the supplemental material


 



Input files used for the RPA and BSE calculations in  Exciting for the two materials GaAs and NaI (example files for specific momentum transfers)


 

Raw dielectric function data from Exciting:



Dielectric functions from RPA (with and without local field effects) and BSE for transfer momenta between 0keV and 14.7keV as raw output from Exciting for GaAs and NaI; the used k-grid was 6x6x6, the number of valence and conduction bands (VB and CB) are indicated in the file names. This data was used to create Fig. 2 in the main text. In the supplemental material it was used for the curves in Fig. S2 for 6x6x6 k-grid, for Fig. S4 and for Fig. S3 for BSE with 10 CB and RPA with 10 and 80CB.


 



BSE dielectric function for GaAs as raw output from Exciting for 4VB+4CB and 6x6x6 k-grid for transfer momenta between 0keV and 10keV; data for k=3keV is shown in Fig. S3 in the supplemental material.


 



BSE dielectric function for GaAs as raw output from Exciting for 4VB+7CB, 6x6x6 k-grid and transfer momenta k=0,3,5keV; k=3keV shown in Fig. S3 in the supplemental material.


 



BSE dielectric function for GaAs at k=0keV as raw output from Exciting for 4VB+4CB and different k-grids (6x6x6, 9x9x9 ,11x11x11) as shown in Fig. S2 in the supplemental material (epsilon conerted to ELF).


 



BSE dielectric function for NaI at k=0keV as raw output from Exciting for 3VB+3CB and different k-grids (6x6x6, 9x9x9 ,12x12x12) as shown in Fig. S2 in the supplemental material (epsilon conerted to ELF).


 



BSE dielectric function for GaAs as raw output from Exciting using the five Ga 3d states + 9CB and transfer momenta between 0keV and 10keV


 

Prost-processed dielectric function data to serve as input in the DarkELF code:



Dielectric function input files as used in the openly available DarkELF code for GaAs and NaI combining the original dielectric function data from Exciting for momenta 0, ..., 14.7keV (separate data file for BSE (10CB), RPA (10CB and 80CB), RPA without local field effects (NLF) and 10CB). For GaAs there is an additional file for BSE using the Ga d states and 9CB for transfer momenta up to 10keV. These dielectric function input files were used within DarkELF to calculate the differential scattering rates as shown in Fig. 3 in the main text and Fig. S5 in the supplemental material; in DarkELF the target densities rhoT = 5.32  gram/cm^3 for GaAs and rhoT = 3.67  gram/cm^3 for NaI were used. 


Differential scattering rate data created using the DarkELF code:



differential dark matter-electron scattering rates calculated from the dielectric functions ( meaning the DarkELF input files) for BSE and RPA (with local field effects) for massless and massive mediators using the DarkELF code; the respective chosen dark matter mass is indicated in the individual file names. These rates are based on RPA and BSE dielectric functions including 10 CB and they were used to derive the cross-section sensitivities assuming a monotonically decaying background as referenced in the paper


 



differential scattering rate data as plotted in Fig. 3 in the main text (BSE, RPA, RPA without local field effects)


 



differential scattering rate data as plotted in Fig. S5 in the supplemental material


 

Cross-section sensitivity data:



cross-section sensitivities assuming a monotonically decaying background for GasAs and NaI, massless and massive mediator, based on the RPA and BSE with 10CB for both methods, with 13% efficiency as shown in Fig. 4 in the main text and 10% efficiency (BSE only) as shown in Fig. S8; additional parameters are given in the individual file names


 



cross-section sensitivities without any background (calculated within DarkELF) for GaAs and NaI, massless and massive mediator, based on the RPA and BSE as shown in Fig. S6


Other:



BSE single peaks data for GaAs and NaI, massless and massive mediator as shown in Fig. S7 in the supplemental material