Publications per year
Publications per year
Description
This repository contains the computational data supporting the manuscript titled “The critical role of intrinsic defects and many-body interactions on the stability of MnBi₂Te₄.”
It includes:
1. DFT data generated using VASP, used for training and benchmarking electronic structure models.
2. Quantum Monte Carlo (QMC) data produced with QMCPACK, used to apply many-body corrections and validate the electronic and magnetic properties of MnBi₂Te₄.
3. Relevant scripts used to run, analyze, and process the calculations, enabling reproducibility and transparency of the workflows.
It includes:
1. DFT data generated using VASP, used for training and benchmarking electronic structure models.
2. Quantum Monte Carlo (QMC) data produced with QMCPACK, used to apply many-body corrections and validate the electronic and magnetic properties of MnBi₂Te₄.
3. Relevant scripts used to run, analyze, and process the calculations, enabling reproducibility and transparency of the workflows.
| Date made available | 2026 |
|---|---|
| Publisher | Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States) |
Funding
| Funders | Funder number |
|---|---|
| Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE) | AC05-00OR22725 |
Research output
- 1 Article
-
The critical role of intrinsic defects and many-body interactions on the stability of MnBi2Te4
Ghaffar, A., Saritas, K. & Reboredo, F. A., Dec 2026, In: npj Computational Materials. 12, 1, 119.Research output: Contribution to journal › Article › peer-review
Open Access
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