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| Main Authors: | , , , , , , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2510.03897 |
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| _version_ | 1866914276193599488 |
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| author | Baljozović, Miloš Karmakar, Shiladitya Cauduro, André L. Fernandes Sundar, Mothuku Shyam Lozano, Marco Kumar, Manish Polo, Diego Soler Schmid, Andreas K. Bedekar, Ashutosh V. Jelinek, Pavel Ernst, Karl-Heinz |
| author_facet | Baljozović, Miloš Karmakar, Shiladitya Cauduro, André L. Fernandes Sundar, Mothuku Shyam Lozano, Marco Kumar, Manish Polo, Diego Soler Schmid, Andreas K. Bedekar, Ashutosh V. Jelinek, Pavel Ernst, Karl-Heinz |
| contents | We report the emergence of adsorption-induced magnetism from heterohelicene molecules on a non-magnetic Cu(100) surface. Spin-polarized low-energy electron microscopy (SP-LEEM) measurements reveal spin-dependent electron reflectivity for enantiopure 7,12,17-trioxa[11]helicene (TO[11]H) monolayers, indicating the formation of a spin-polarized state localized in the topmost copper layer. Control experiments on clean Cu(100) and TO[11]H on highly oriented pyrolytic graphite show no such effect, excluding artifacts and chirality-induced spin selectivity as origins. Spin-polarized density functional theory calculations with hybrid functionals attribute the magnetism to strong chemisorption, which induces hybridization between the molecular HOMO and copper s- and d-states, driving asymmetric spin-polarized charge redistribution at the interface. An extended Newns-Anderson-Grimley model incorporating on-site Coulomb repulsion in Cu d-orbitals reproduces the emergence of interfacial spin polarization above a threshold interaction strength, highlighting the key roles of hybridization parameters and Coulomb correlation. These findings reveal a mechanism for inducing magnetism at molecule-metal interfaces without inherently magnetic components, offering avenues for engineering spin-polarized states in organic-inorganic hybrid systems. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2510_03897 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Adsorption-induced surface magnetism Baljozović, Miloš Karmakar, Shiladitya Cauduro, André L. Fernandes Sundar, Mothuku Shyam Lozano, Marco Kumar, Manish Polo, Diego Soler Schmid, Andreas K. Bedekar, Ashutosh V. Jelinek, Pavel Ernst, Karl-Heinz Materials Science We report the emergence of adsorption-induced magnetism from heterohelicene molecules on a non-magnetic Cu(100) surface. Spin-polarized low-energy electron microscopy (SP-LEEM) measurements reveal spin-dependent electron reflectivity for enantiopure 7,12,17-trioxa[11]helicene (TO[11]H) monolayers, indicating the formation of a spin-polarized state localized in the topmost copper layer. Control experiments on clean Cu(100) and TO[11]H on highly oriented pyrolytic graphite show no such effect, excluding artifacts and chirality-induced spin selectivity as origins. Spin-polarized density functional theory calculations with hybrid functionals attribute the magnetism to strong chemisorption, which induces hybridization between the molecular HOMO and copper s- and d-states, driving asymmetric spin-polarized charge redistribution at the interface. An extended Newns-Anderson-Grimley model incorporating on-site Coulomb repulsion in Cu d-orbitals reproduces the emergence of interfacial spin polarization above a threshold interaction strength, highlighting the key roles of hybridization parameters and Coulomb correlation. These findings reveal a mechanism for inducing magnetism at molecule-metal interfaces without inherently magnetic components, offering avenues for engineering spin-polarized states in organic-inorganic hybrid systems. |
| title | Adsorption-induced surface magnetism |
| topic | Materials Science |
| url | https://arxiv.org/abs/2510.03897 |