Data-driven studies of magnetic two-dimensional materials
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下载链接:
https://archive.materialscloud.org/doi/10.24435/materialscloud:2019.0020/v1
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资源简介:
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.
提供机构:
Materials Cloud
创建时间:
2019-05-22



