Data supporting "Understanding localized states in the band tails of amorphous semiconductors exemplified by a-Si:H from the perspective of excess delocalized charges" accepted by Physical Review B on 12 Feb 2024. 

This zip file is created by Yuezhou Luo, Electrical Engineering Division, Department of Engineering, University of Cambridge, Cambridge CB3 0FA, UK


General Description:
1. The data of all nonschematic figures and subfigures are summarized in the respective .xls documents included in this zip file.
2. For the data of 2D figures in the files, their row and column indices are in accordance with those in the corresponding figures.
3. FIG. 1(g) and (h), and FIG. 7(a) – (c) are directly obtainable from FIG. 1(f) using ordinary data processing software such as OriginPro.
4.The experimental data used in FIG. 1(d) come from the Figure 3 of an earlier paper: W. Spear, The study of transport and related properties of amorphous silicon by transient experiments, J. Non-Cryst. Solids 59, 1 (1983). Details see the text of our paper.
5. Relevant underpinning work has been mentioned in "Underpinning work statement.pdf" included in this zip file.


Detailed description:

1.  Fig. 1(a) in the paper: The equivalent excess delocalized charge distributions in the middle layer of the a-Si:H 2.5-dimension (2.5D) model developed in the paper.  FIG. 1(a).xls file provides these 2D charge distribution data which correspond to models produced using different window dimensions of a moving average algorithm.

2. Fig. 1(b) in the paper: Fig. 1(b).xls file provides the probability density function (PDF) of charge distribution shared among the five cases in FIG. 1(a).

3. Fig. 1(c): FIG. 1(c).xls file provides the dependences of the proportion on r (a relation defined in paper text) for the five cases in Fig. 1(a).

4. Fig. 1(d): FIG. 1(d).xls file provides the calculated density of states (DOS) data using our model and their fitting to experimental DOS data obtained elsewhere (see Underpinning work statement.pdf).

5. Fig. 1(e): FIG. 1(e).xls file provides the data for the PDF of local band edge distribution in our model.

6. Fig. 1(f) - (h): FIG. 1(f)-(h).xls file contains the data for the local band edge distributions in the middle layer of the a-Si:H 2.5-dimension (2.5D) model developed in the paper.

7. Fig. 3: FIG. 3.xls file contains the data of the PDF of excess delocalized charges under the five cases in Fig. 1(a) and provides the data that describe the constraint between the two model parameters (standard deviation and window dimension) in order to achieve a good fitting of calculation to experimental DOS data.

8. Fig. 4: FIG. 4.xls file contains both the 2D and 1D electron probability density distribution of the model, which reflect the electron wave function envelope profile.

9. Fig. 7(d): FIG. 7(d).xls file contains the data that describe the relation between the volume of a state and the energy of the state as well as the data of the labeled points.

10. Fig. 8: FIG. 8.xls file provides the DOS data calculated in different trials to show the robustness of our modeling method to the initial data generating stochasticity.


The contents in this zip file and the corresponding paper are under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the authors and the published article’s title, journal citation, and DOI.