Effect of hydrogen on magnetic properties in MgO studied by first-principles calculations and experiments
Abstract We investigated the effects of both intrinsic defects and hydrogen atom impurities on the magnetic properties of MgO samples. MgO in its pure defect-free state is known to be a nonmagnetic semiconductor. We employed density-functional theory and the Heyd–Scuseria–Ernzerhof (HSE) density fun...
Main Authors: | , , , , , , , , , , , , , |
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Format: | Article |
Language: | English |
Published: |
Nature Portfolio
2022-06-01
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Series: | Scientific Reports |
Online Access: | https://doi.org/10.1038/s41598-022-13949-w |