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• W3207569325 abstract "A non-collinear density functional theory calculation of the electronic and magnetic structure of phosphorus-doped silicene was performed using atomic constrained magnetization. The antiferromagnetic state for the local magnetic moments of a pair of phosphorus atoms was found to be preferable both without and with constrained magnetization. A spatial change in the charge densities in the regions of substituting phosphorus atoms was shown. It was found that upon rotation from the |0〉 state to the |1〉 state, the charge density in the intermediate state changes asymmetrically relative to the bonds of the P atom with the neighbouring Si atoms." @default.
• W3207569325 created "2021-10-25" @default.
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• W3207569325 date "2021-01-01" @default.
• W3207569325 modified "2023-10-15" @default.
• W3207569325 title "Quantum mechanical modelling of phosphorus qubits in silicene under constrained magnetization" @default.
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• W3207569325 doi "https://doi.org/10.1039/d1ra05422h" @default.
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