Data-driven studies of magnetic two-dimensional materials
- Department of Physics, Harvard University, 17 Oxford street, Cambridge MA 02138
DOI10.24435/materialscloud:2019.0020/v1 (version v1, submitted on 20 May 2019)
How to cite this entry
Trevor David Rhone, Wei Chen, Shaan Desai, Amir Yacoby, Efthimios Kaxiras, Data-driven studies of magnetic two-dimensional materials, Materials Cloud Archive (2019), doi: 10.24435/materialscloud:2019.0020/v1.
We use a data-driven approach to study the magnetic and thermodynamic properties of van der Waals (vdW) layered materials. We investigate monolayers of the form A2B2X6, based on the known material Cr2Ge2Te6, using density functional theory (DFT) calculations and determine their magnetic properties, such as magnetic order and magnetic moment. We also examine formation energies and use them as a proxy for chemical stability.
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|223.8 KiB||csv file of materials descriptors and the target properties: magnetic moment and formation energy.|
|6.4 KiB||Description of materials descriptors|
20 May 2019 [This version]