Tuning the spin texture of graphene with size-specific Cu clusters: a first-principles study
JPhys Materials, ISSN: 2515-7639, Vol: 6, Issue: 3
2023
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Article Description
The size dependent interaction of Cu (n = 1‒5) clusters with pristine and defective (C-vacancy) graphene is studied by employing density functional theory. The computed binding energies are in the range of ∼0.5 eV for pristine graphene and ∼3.5 eV for defective graphene, indicating a much stronger interaction in the later system. The induced spin-orbit coupling interaction, due to the proximity of the Cu cluster, is studied with non-collinear spin-polarized simulations. The clusters cause a spin splitting in the order of few meV. The resultant low energy bands spin textures are also computed, and a spin-valley coupling in the case of even atom clusters on pristine graphene is predicted, leading to the emergence of a spin lifetime anisotropy. For defective graphene, a complete out-of-plane spin texture and a large spin splitting of 40-100 meV is obtained for Cu (n = 1, 2, 3, 5) clusters due to local magnetic moment. On the other hand, for Cu/defective graphene, having no net magnetic moment, the spin-valley coupling prevails close to the band edges.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85162116158&origin=inward; http://dx.doi.org/10.1088/2515-7639/acd8f2; https://iopscience.iop.org/article/10.1088/2515-7639/acd8f2; https://dx.doi.org/10.1088/2515-7639/acd8f2; https://validate.perfdrive.com/fb803c746e9148689b3984a31fccd902/?ssa=016322ab-b0a0-43ef-8e70-216932134820&ssb=42438238755&ssc=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1088%2F2515-7639%2Facd8f2&ssi=6fdd4123-8427-4715-9518-566c4eef26e6&ssk=support@shieldsquare.com&ssm=07112150857216400723614448758690189&ssn=b6b43195d6b5661e5bd481678f6e28393305a8b91149-14d5-48cc-a9fc9c&sso=1f7c3fda-70752116f6f6491e3de5c16ee7234bb1d9a255a2bbf0bdb2&ssp=91942848621715409768171634992812636&ssq=40740054306687885652599121971696987656659&ssr=NTIuMy4yMTcuMjU0&sst=com.plumanalytics&ssu=&ssv=&ssw=&ssx=eyJ1em14IjoiN2Y5MDAwOTg4YWI3YWEtZTU1ZS00OTBmLTkxZDEtNTdjNTRlNzk4ZGQ2MTEtMTcxNTQ5OTEyMTMxMjg0Mzk0NTI1NC01N2Y1YjMzNTQ4YzJkNWNlNzIzNTgiLCJyZCI6ImlvcC5vcmciLCJfX3V6bWYiOiI3ZjYwMDBmMjJmYWMwYS02NDkyLTRkODQtYmQ3MS01MTRiMzhlODIwYTcxNzE1NDk5MTIxMzEyODQzOTQ1MjU0LTY5YTE2ZmI2MGE3ZWFiNzM3MjM2MSJ9
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