Data behind "Boosting the transparency of metallic SrNbO3 through Ti doping"

This repository contains the data behind the figures of the paper    "Boosting the transparency of metallic SrNbO3 through Ti doping"by  Shammi Kumar et al. [arXiv:2410.03301 to be published in Adv. Mater. Interfaces].

Research context: transparent conductors studied by density functional and dynamical mean field theory as well as by x-ray, electrical and optical experiments.

Purpose of the data: to make the results and figures of the aforementioned article reproducible by other groups

Relation to the article: the repository contains the data used to generate the figures of the aforementioned article

The data is organized into 5 subdirectories:

DFT DMFT theory calculations

Band unfolding results

XRD Measurements

Electrical Measurement

Optical Measurement

Each directory has a separate Readme.txt file.

Role of the subdirectories: to structure the data along the line of the different methods employed.

The following software has been used for the computation:

DFT: VASP version 6.3.0 (https://www.vasp.at) , Wien2K (http://www.wien2k.at) Wannier90 version 3.1.0 (https://wannier.org)DMFT: w2dynamics (https://github.com/w2dynamics), ana_cont version 1.1.2 (https://github.com/josefkaufmann/ana_cont)