Raw data for "Influence of atomic-scale defects on coherent phonon excitations by THz near fields in an STM"

Raw data for: Influence of atomic-scale defects on coherent phonon excitations by THz near fields in an STM Vibhuti N. Rai1, Junyoung Sim1, Florian Faaber1, Nils Bogdanoff1, Sergey Trishin1, Paul Wiechers1, Tom S. Seifert1, Tobias Kampfrath2, Christian Lotze1, Katharina J. Franke2 1. Fachbereich Physik, Freie Universität, Arnimallee 14, Berlin & 14195, Germany. 2. Fachbereich Physik and Halle–Berlin–Regensburg Cluster of Excellence CCE, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany. This document contains the information of the raw data used to reproduce the plots presented in the paper. The data for each figure is organized into its own folder, named according to the corresponding figure number. Detailed descriptions of the contents are provided later in this document. Dataset file types: 1. .cjson - Contains the structure of MoTe₂. This file can be opened and viewed with programs such as Avogadro (open-source). 2. .sxm - STM topography files generated by the Nanonis control software. They can be viewed by using open-source tools like Gwyddion or WSxM. 3. .dat/.txt - Plain text files containing the spectra shown in various figures (details are provided later). 4. .sav - Plain text files containing the parameter used to record time-traces shown in Fig. 3, Fig. 4, and Figs. S3–S7. These files can be opened with any text editor. 5. .csv - Files containing the Fast Fourier Transforms (FFT) of the time-traces shown in Fig. 3, Fig. 4, and Figs. S3–S7. Procedure for FFT: To perform the FFT of the time traces shown in Fig. 3, Fig. 4, Fig. S3, Fig. S4, Fig. S6, and Fig. S7, we used the NumPy Python package and applied a Hamming window to minimize spectral leakage. We provide the data-processing script “delay_stage_FFT.ipynb”, which reproduces the results presented in the paper. To use the script, place all the files for each figure beginning with “delay_measurement…” (with extensions .dat and .sav) into a single directory and open it in Jupyter Notebook or Visual Studio Code. After specifying the path to this directory, running the first cell loads the raw data, plots the time traces (THz signal in electrons/pulse vs delay in picoseconds), and exports a comma-separated .txt file containing the processed values. Running the second cell performs the FFT using the selected windowing parameters. This cell generates .csv files of the FFT which are then plotted in the paper. Instructions for adjusting variables such as the FFT window are provided directly within the code. Procedure for calculating THz-induced current: To reproduce the calculations shown in Fig. S4 and Fig. S5, we provide the Python script Calculation_FigS4_FigS5.py, which can be executed in python IDEs like Spyder. To run the calculations, place the pulse-shape file and the IV data in the same folder as the script and execute it. Note that different window functions are used to minimize spectral leakage in the FFT of the time-trace data: a Hamming window is applied for the analysis in Fig. S4C, while a Kaiser window is used for Fig. S5. Inline comments in the script indicate how to select the appropriate window function and data range, consistent with the procedures described in the paper. folder_Figure 1 3d_file_MoTe2.cjson: To generate the structure of MoTe2 A20240203_001.sxm: Topography shown in Fig. 1C A240202_009.dat, A240202_011.dat, A240202_012.dat: dI/dV spectra in Fig. 1D. Current offset at V= 0 V has been corrected in the plots. folder_Figure 2 delay_measurement_2-8-2024_1-07-51 PM0.dat: Photoemission sampling (PES) data in Fig. 2A delay_measurement_2-8-2024_1-07-51 PM.csv: FFT of the PES data shown in Fig. 2B delay_measurement_2-8-2024_1-07-51 PM0.dat.NP.sav A240202_008.dat, A240202_009.dat, A240202_016.dat: I-V and ITHz-V Data in Fig. 2C folder_Figure 3 delay_measurement_2-2-2024_7-23-32 PM0.dat delay_measurement_2-2-2024_7-23-32 PM0.dat.NP.sav delay_measurement_2-2-2024_7-23-32 PM.csv delay_measurement_2-2-2024_9-13-16 PM0.dat delay_measurement_2-2-2024_9-13-16 PM0.dat.NP.sav delay_measurement_2-2-2024_9-13-16 PM.csv delay_measurement_2-2-2024_10-16-06 PM0.dat delay_measurement_2-2-2024_10-16-06 PM0.dat.NP.sav delay_measurement_2-2-2024_11-12-43 PM0.dat delay_measurement_2-2-2024_11-12-43 PM0.dat.NP.sav folder_Figure 4 delay_measurement_2-2-2024_7-52-48 PM.csv delay_measurement_2-2-2024_7-52-48 PM0.dat delay_measurement_2-2-2024_7-52-48 PM0.dat.NP.sav delay_measurement_2-2-2024_9-32-09 PM.csv delay_measurement_2-2-2024_9-32-09 PM0.dat delay_measurement_2-2-2024_9-32-09 PM0.dat.NP.sav delay_measurement_2-2-2024_10-35-03 PM.csv delay_measurement_2-2-2024_10-35-03 PM0.dat delay_measurement_2-2-2024_10-35-03 PM0.dat.NP.sav delay_measurement_2-2-2024_11-44-26 PM.csv delay_measurement_2-2-2024_11-44-26 PM0.dat delay_measurement_2-2-2024_11-44-26 PM0.dat.NP.sav delay_measurement_2-3-2024_12-42-47 AM.csv delay_measurement_2-3-2024_12-42-47 AM0.dat delay_measurement_2-3-2024_12-42-47 AM0.dat.NP.sav folder_Figure S1 E241203_0019.sxm: Topography in Fig. S1 folder_Figure S3 delay_measurement_2-8-2024_1-07-51 PM0_psd.csv delay_measurement_2-8-2024_1-07-51 PM0_psd.dat delay_measurement_2-8-2024_1-07-51 PM0_psd.NP.sav delay_measurement_2-8-2024_1-07-51 PM0.txt delay_measurement_EOS-on-table_10-16-2023_2-08-39 PM.csv delay_measurement_EOS-on-table_10-16-2023_2-08-39 PM0.dat delay_measurement_EOS-on-table_10-16-2023_2-08-39 PM0.dat.NP.sav delay_measurement_EOS-on-table_10-16-2023_2-08-39 PM0.txt folder_Figure S4 delay_measurement_2-2-2024_9-32-09 PM0.dat delay_measurement_2-2-2024_9-32-09 PM0.dat.NP.sav delay_measurement_2-2-2024_9-32-09 PM0.txt delay_measurement_2-8-2024_1-07-51 PM0.dat delay_measurement_2-8-2024_1-07-51 PM0.dat.NP.sav delay_measurement_2-8-2024_1-07-51 PM0.txt FFT_calculated.csv IV_A240202_011.dat folder_Figure S5 This folder contains two sub-folders. Each folder contains two kinds of files: files starting with “Calculation_VTHZ…” are the calculated 𝐼THz at different bias voltages, whereas the files starting with “FFT_Calculation…” contain their corresponding FFTs. 1. Bias dependence defect Calculation_VTHZ_0.26_bias_0p3_defect.txt Calculation_VTHZ_0.26_bias_0p4_defect.txt Calculation_VTHZ_0.26_bias_m0p6_defect.txt FFT_Calculation_VTHZ_0.26_bias_0p3_defect.txt FFT_Calculation_VTHZ_0.26_bias_0p4_defect.txt FFT_Calculation_VTHZ_0.26_bias_m0p6_defect.txt IV_A240202_011.dat 2. Bias dependence pristine Calculation_VTHZ_0.26_bias_0p2_pristine.txt Calculation_VTHZ_0.26_bias_0p3_pristine.txt Calculation_VTHZ_0.26_bias_0p4_pristine.txt FFT_Calculation_VTHZ_0.26_bias_0p2_pristine.txt FFT_Calculation_VTHZ_0.26_bias_0p3_pristine.txt FFT_Calculation_VTHZ_0.26_bias_0p4_pristine.txt IV_A240202_009.dat folder_Figure S6 delay_measurement_2-3-2024_1-37-09 AM0_psd.csv delay_measurement_2-3-2024_1-37-09 AM0.dat delay_measurement_2-3-2024_1-37-09 AM0.dat.NP.sav delay_measurement_2-3-2024_2-10-15 AM0_psd.csv delay_measurement_2-3-2024_2-10-15 AM0.dat delay_measurement_2-3-2024_2-10-15 AM0.dat.NP.sav delay_measurement_2-3-2024_2-29-56 AM0_psd.csv delay_measurement_2-3-2024_2-29-56 AM0.dat delay_measurement_2-3-2024_2-29-56 AM0.dat.NP.sav delay_measurement_2-3-2024_2-49-50 AM0_psd.csv delay_measurement_2-3-2024_2-49-50 AM0.dat delay_measurement_2-3-2024_2-49-50 AM0.dat.NP.sav delay_measurement_2-3-2024_12-42-47 AM0_psd.csv delay_measurement_2-3-2024_12-42-47 AM0.dat delay_measurement_2-3-2024_12-42-47 AM0.dat.NP.sav folder_Figure S7 delay_measurement_2-2-2024_7-23-32 PM.csv (Fig. S7C) delay_measurement_2-2-2024_7-23-32 PM0.dat (Fig. S7C) delay_measurement_2-2-2024_7-23-32 PM0.dat.NP.sav (Fig. S7C) delay_measurement_2-2-2024_7-52-48 PM.csv (Fig. S7C) delay_measurement_2-2-2024_7-52-48 PM0.dat (Fig. S7C) delay_measurement_2-2-2024_7-52-48 PM0.dat.NP.sav (Fig. S7C) delay_measurement_2-2-2024_8-52-55 PM.csv (Fig. S7C) delay_measurement_2-2-2024_8-52-55 PM0.dat (Fig. S7C) delay_measurement_2-2-2024_8-52-55 PM0.dat.NP.sav (Fig. S7C) delay_measurement_2-2-2024_9-13-16 PM.csv (Fig. S7D) delay_measurement_2-2-2024_9-13-16 PM0.dat (Fig. S7D) delay_measurement_2-2-2024_9-13-16 PM0.dat.NP.sav (Fig. S7D) delay_measurement_2-2-2024_9-32-09 PM.csv (Fig. S7D) delay_measurement_2-2-2024_9-32-09 PM0.dat (Fig. S7D) delay_measurement_2-2-2024_9-32-09 PM0.dat.NP.sav (Fig. S7D) delay_measurement_2-2-2024_9-51-05 PM.csv (Fig. S7D) delay_measurement_2-2-2024_9-51-05 PM0.dat (Fig. S7D) delay_measurement_2-2-2024_9-51-05 PM0.dat.NP.sav (Fig. S7D) delay_measurement_2-3-2024_12-23-43 AM.csv (Fig. S7E) delay_measurement_2-3-2024_12-23-43 AM0.dat (Fig. S7E) delay_measurement_2-3-2024_12-23-43 AM0.dat.NP.sav (Fig. S7E) delay_measurement_2-3-2024_12-42-47 AM0.csv (Fig. S7E) delay_measurement_2-3-2024_12-42-47 AM0.dat (Fig. S7E) delay_measurement_2-3-2024_12-42-47 AM0.dat.NP.sav (Fig. S7E)