Materials Cloud Repository
Imaging heat transport in suspended diamond nanostructures with integrated spin defect thermometers
This repository contains the data used in the article:


Imaging heat transport in suspended diamond nanostructures with integrated spin defect thermometers

V. Goblot, K. Wu, E. Di Lucente, Y. Zhu, E. Losero, Q. Jobert, C. Jaramillo Concha, N. Quack, N. Marzari, M. Simoncelli, and C. Galland

The data associated with this article are organized into two main directories: one containing the datasets obtained from experimental measurements, and the other containing the data produced by numerical simulations. For further information on these data, please contact Valentin Goblot (experimental data, valentin.goblot@epfl.ch) or Enrico Di Lucente (simulation data, ed3171@columbia.edu), respectively.

THEORETICAL PART
The theoretical data correspond to simulations of thermal transport in suspended diamond cantilevers. Thermal transport is modeled by solving the viscous heat equations (VHE), parametrized using transport first-principles coefficients obtained from the linearized phonon Boltzmann transport equation (LBTE).
All simulations reported here are performed at T = 300 K.

Repository Structure
Top-level folders:
1_0.05%_C13/
2_0.05%_C13_20ppm_vacancy/
3_0.05%_C13_10ppm_vacancy/
Top-level data files:
data_k_eff_0.5_0.05_C13.dat
data_k_eff_0.5_0.05_C13_10ppm_vacancy.dat
data_k_eff_0.5_0.05_C13_20ppm_vacancy.dat
Plotting script:
1_plot_k_eff_vs_width_all.py

Impurity Scenarios
1_0.05%_C13/
Diamond with 0.05% 13C isotopic concentration and no additional vacancies.
3_0.05%_C13_10ppm_vacancy/
Diamond with 0.05% 13C and 10 ppm vacancy concentration.
2_0.05%_C13_20ppm_vacancy/
Diamond with 0.05% 13C and 20 ppm vacancy concentration.
Each folder contains the full set of simulation outputs corresponding to that specific impurity configuration.

How the Data Were Generated
In each impurity folder:
* The transport parameters are located in the subdirectory T_300/.
* These parameters are obtained from first-principles LBTE calculations in the relaxons-VHE formalism.
* The Mathematica notebook 300K_prism_vhs_params.nb is used to solve the viscous heat equations for the cantilever geometry.
* The solution provides the mesoscopic spatial heat flux and temperature fields.
* From these results, the effective thermal conductivity k_eff is extracted as a function of cantilever width.
The final processed data are exported as:
data_k_eff_0.5_0.05_C13.dat
data_k_eff_0.5_0.05_C13_10ppm_vacancy.dat
data_k_eff_0.5_0.05_C13_20ppm_vacancy.dat

Figures in the Article
Figure 4 (Main Text) was produced using:
data_k_eff_0.5_0.05_C13.dat
data_k_eff_0.5_0.05_C13_10ppm_vacancy.dat
These correspond to:
* 0.05% 13C without vacancies
* 0.05% 13C with 10 ppm vacancies
The 10 ppm vacancy configuration provides the best agreement with experiment and is the model used for the main comparison (see motivation in the article)

Figure S12 (Appendix) was obtained using:
data_k_eff_0.5_0.05_C13_20ppm_vacancy.dat
This dataset is generated from the folder:
2_0.05%_C13_20ppm_vacancy/
using the same workflow described above (Mathematica VHE solver with transport parameters from T_300/).

Figure 3c (Main Text) shows the normalized temperature gradient scaling and slope analysis and is based on the 10 ppm vacancy case. All relevant data and scripts are located in:
3_0.05%_C13_10ppm_vacancy/
This folder also contains:
final_data_slope.dat
res_tc_C_s8.dat
res_tc_C_s8_full.dat
3_plot_slope.py
In this case, the slope analysis is performed by varying both:
* The cantilever width
* The cantilever length
This analysis is specific to the 10 ppm vacancy configuration.

Additional Files
Within each impurity folder, the following files are typically present:
T_300/
Transport parameters used in the VHE simulations.
2_read_results_all.py
Script used to process raw simulation results.
from_percentage_to_g_factor.ods
Conversion tables for impurity parameters.
latexTable_C_s8.dat
Data formatted for manuscript tables.
data_P_vs_distance_width*.dat
Temperature and heat-flux profiles for different cantilever widths.


EXPERIMENTAL PART
The experimental part contains the experimental data presented in the 4 figures of the main text, in their respective subfolder. Additional precisions are given below.
Figure 1
The data from figure 1(c) combines datasets that have been measured on two different samples, both in the bulk and on a cantilever. See Fig. S4 of the Supplemental Material for details. In each case, the .dat file contains the absolute measured ZFS, D(T). As explained in the main text, in Fig. 1(c) we plot instead the ZFS shift D(T) - D(22C). 
Figure 2
In Fig. 2(c), the data also includes the ZFS values measured with heating (Ph = 3.07 mW) and the reference ZFS values, without heating (Ph = 0 mW). These are plotted in Fig. S8 of the Supplemental Material. We detail in the main text how the temperature shift Delta T shown in Fig. 2(c) is obtained from these two measurements.