DOI: 10.5281/zenodo.14732296
title: Electronic, Optical and Structural Properties of MnPS3: Advanced Spectroscopy and Theoretical Investigation

description: Dataset for "Electronic, Optical and Structural Properties of MnPS3: Advanced Spectroscopy and Theoretical Investigation" 

K. Ignatowicz,a W. M. Linhart,∗a M. Rybak,a N. Antonatos,a B. Wu,b J. Luxa,b J.Serafińczuk,c M. Peter,a Z. Sofer,b and R. Kudrawiec, a

a Department of Semiconductor Materials Engineering, Faculty of Fundamental Problems of Technology, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, 50-370, Wrocław, Polandb Department of Inorganic Chemistry, University of Chemistry and Technology Prague, Technicka 5, Prague 166 28, Czech Republic c Faculty of Electronics, Photonics and Microsystems, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, 50-370, Wrocław, Poland

*Corresponding authors: wojciech.linhart@pwr.edu.pl

_____Data manager_____Wojciech Linhartwojciech.linhart@pwr.edu.pl

_____About the dataset_____The dataset contains all relevant data and figures regarding the manuscript "Investigating the Interplay of Magnetic, Structural and Optical Properties in MnPS3: Experimental Results and Theoretical Analysis".

All Figures are in png format and all relevant data are in dat or csv formats. 

The data in csv format are labelled as specified in the corresponding images (e.g. Figure 3a dat file corresponds to data used to plot graphs from Figure 3a etc.). 

Axis labeling and units are always specified at the beginning of individual columns. If more than one curve was plotted from the dat or csv file, the conditions can also be found at the beginning of corresponding columns.

_____Methods of data collection and processing_____Data acquisition and data processing is provided in the manuscript:

_____List of files_____Folder: CIF               MnPS3_DFTpU.cif  The structure file  used in this study.Folder: Figure 1    Fig 1.png        Created based on crystal structure which are available at https://next-gen.materialsproject.org/materials/mp-8613#how_to_citeFolder: Figure 2    Fig2.png                    Figure 2 - Photoreflectance.dat    Figure 2 - absorption.datFolder: Figure 3    Fig3.png        Figure 3a - Band_structure.dat    Figure 3b - Photoreflectance.dat    Figure 3b - absorption.datFolder: Figure 4    Fig4.png        Figure 4a - Photoreflectance_Tdep.dat    Figure 4b - Absorption_Tdep.dat    Folder: Figure 5    Fig5.png            Created based on fittings data from temperture dependet Absorpion and Photoreflectance    Figure 5 - Absorption_Tdep.dat    Figure 5 - Photoreflectance_Tdep.datFolder: Figure 6    Fig6.png         Figure 6a -XRD_300K    Figure 6b-d- XRD. zip  - raw data for T_depFolder: Figure 7    Fig7.png        Figure 7a- Band_structue_AFM.dat    Figure 7a - Band_structue_PM    Figure 7c - DOS_PM.dat    Figure 7c -DOS_AFM.datFolder: Figure S1    FigS1.png    Folder: Figure S2    FigS2.png    Figure S2 - survey.csvFolder: Figure S3    FigS3.png    Figure S3 - Mn 2p.csv,     Figure S3 - P 2p.csv,     Figure S3 - S 2p.csvFolder: Figure S4    FigS4.png    Figure S4 - Photoreflectance_TdepFolder: Figure S5    FigS5.png    Figure S5 - XRD_33K.dat    Figure S5 - XRD_298K