- Open Access
Ultrafast laser-induced spin-manipulation scenarios on a long zigzag silicon chain system
Phys. Rev. B 114, 074422 – Published 17 August, 2026
DOI: https://doi.org/10.1103/kwq8-7tvl
Abstract
Long-distance spin transfer is essential for realizing scalable, all-optical magnetic logic units. In this work, we employ high-level quantum chemistry methods to demonstrate ultrafast laser-driven spin dynamics in a zigzag silicon chain functionalized with two Ni atoms. The first result of this study is the realization of coherent spin transfer in both cis and trans configurations, achieving transfer distances of 6.547 and 6.021 nm, respectively, within the subpicosecond regime, demonstrating the potential of silicon-based spin channels for ultrafast logic operations. The second outcome reveals that even minor variations in laser polarization angles can cause a significant reduction in spin-transfer fidelity. Third, we find that changes in the strength of an applied inhomogeneous magnetic field strongly affect the fidelity of spin transfer. The fourth key finding is that, for a double-pulse sequence, the fidelity of the spin-flip process is highly sensitive to the time delay between two laser pulses. Fifth, a combination of a single laser pulse and a magnetic field enables the selective addressing of individual spin centers with high spatial resolution. In particular, the cis configuration exhibits a resolution limit for Ni-Ni separation of just 3.0 Å (well below the projected CMOS scaling limit of 20 Å), highlighting its potential for miniaturization.
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References (144)
- L. Bassman Oftelie, K. Klymko, D. Liu, N. M. Tubman, and W. A. de Jong, Computing free energies with fluctuation relations on quantum computers, Phys. Rev. Lett. 129, 130603 (2022).
- S. Sadana, L. Maccone, and U. Sinha, Testing quantum foundations with quantum computers, Phys. Rev. Res. 4, L022001 (2022).
- A. Macridin, A. C. Y. Li, S. Mrenna, and P. Spentzouris, Bosonic field digitization for quantum computers, Phys. Rev. A 105, 052405 (2022).
- Y.-M. Guo, F. Albarrán-Arriagada, H. Alaeian, E. Solano, and G. A. Barrios, Quantum memristors with quantum computers, Phys. Rev. Appl. 18, 024082 (2022).
- R. Barends, J. Kelly, A. Megrant, D. Sank, E. Jeffrey, Y. Chen, Y. Yin, B. Chiaro, J. Mutus, C. Neill, P. O'Malley, P. Roushan, J. Wenner, T. C. White, A. N. Cleland, and J. M. Martinis, Coherent Josephson qubit suitable for scalable quantum integrated circuits, Phys. Rev. Lett. 111, 080502 (2013).
- M. J. Turner, N. Langellier, R. Bainbridge, D. Walters, S. Meesala, T. M. Babinec, P. Kehayias, A. Yacoby, E. Hu, M. Lončar, R. L. Walsworth, and E. V. Levine, Magnetic field fingerprinting of integrated-circuit activity with a quantum diamond microscope, Phys. Rev. Appl. 14, 014097 (2020).
- P. Kehayias, E. V. Levine, L. Basso, J. Henshaw, M. Saleh Ziabari, M. Titze, R. Haltli, J. Okoro, D. R. Tibbetts, D. M. Udoni, E. Bielejec, M. P. Lilly, T.-M. Lu, P. D. D. Schwindt, and A. M. Mounce, Measurement and simulation of the magnetic fields from a 555 timer integrated circuit using a quantum diamond microscope and finite-element analysis, Phys. Rev. Appl. 17, 014021 (2022).
- P. Clapera, S. Ray, X. Jehl, M. Sanquer, A. Valentian, and S. Barraud, Design and cryogenic operation of a hybrid quantum-CMOS circuit, Phys. Rev. Appl. 4, 044009 (2015).
- S. Pennisi, The integrated circuit industry at a crossroads: Threats and opportunities, Chips 1, 150 (2022).
- K. Zhu, C. Wen, H. Alaeian, A. A. Aljarb, F. Xue, X. Xu, V. Tung, X. Zhang, H. N. Alshareef, and M. Lanza, The development of integrated circuits based on two-dimensional materials, Nat. Electron. 4, 775 (2021).
- Y.-C. Yeo, T.-J. King, and C. Hu, Metal-dielectric band alignment and its implications for metal gate complementary metal-oxide-semiconductor technology, J. Appl. Phys. 92, 7266 (2002).
- E. P. Nordberg, G. A. T. Eyck, H. L. Stalford, R. P. Muller, R. W. Young, K. Eng, L. A. Tracy, K. D. Childs, J. R. Wendt, R. K. Grubbs, J. Stevens, M. P. Lilly, M. A. Eriksson, and M. S. Carroll, Enhancement-mode double-top-gated metal-oxide-semiconductor nanostructures with tunable lateral geometry, Phys. Rev. B 80, 115331 (2009).
- N. Moser, C. L. Leong, Y. Hu, C. Cicatiello, S. Gowers, M. Boutelle, and P. Georgiou, Complementary metal–oxide–semiconductor potentiometric field-effect transistor array platform using sensor learning for multi-ion imaging, Anal. Chem. 92, 5276 (2020).
- A. A. Khajetoorians, J. Wiebe, B. Chilian, and R. Wiesendanger, Realizing all-spin-based logic operations atom by atom, Science 332, 1062 (2011).
- S. A. Wolf, D. D. Awschalom, R. A. Buhrman, J. M. Daughton, S. von Molnár, M. L. Roukes, A. Y. Chtchelkanova, and D. M. Treger, Spintronics: A spin-based electronics vision for the future, Science 294, 1488 (2001).
- B. A. Ivanov, Ultrafast spin dynamics and spintronics for ferrimagnets close to the spin compensation point (review), Low Temp. Phys. 45, 935 (2019).
- C. Joachim, Bonding more atoms together for a single molecule computer, Nanotechnology 13, R1 (2002).
- J. Liu, Y. Zhang, S. Xu, K. Sarkar, C. Li, W. Jin, W. Hübner, and G. Lefkidis, Long-distance coupling between magnetic centers in ultrafast spin transfer: Dynamic Goodenough-Kanamori-Anderson rules, Phys. Rev. B 113, 024436 (2026).
- J. Liu, Y. Zhang, C. Li, W. Jin, G. Lefkidis, and W. Hübner, Controllable spin-dynamic scenarios on zigzag carbon cross structure, Phys. Rev. B 106, 094401 (2022).
- C. Li, J. Liu, S. Zhang, G. Lefkidis, and W. Hübner, Strain effect on the ultrafast spin switching of cobalt-doped carbon fullerenes, IEEE Trans. Magn. 51, 1 (2015).
- C. Li, J. Liu, S. Zhang, G. Lefkidis, and W. Hübner, Strain assisted ultrafast spin switching on @ endohedral fullerenes, Carbon 87, 153 (2015).
- M. Barhoumi, J. Liu, G. Lefkidis, and W. Hübner, Laser-induced ultrafast spin-transfer processes in non-linear zigzag carbon chain systems, Phys. Chem. Chem. Phys. 25, 24563 (2023).
- J. Liu, C. Li, W. Jin, G. Lefkidis, and W. Hübner, Long-distance ultrafast spin transfer over a zigzag carbon chain structure, Phys. Rev. Lett. 126, 037402 (2021).
- Q. Zhang, Y. Zhang, Y. Luo, and H. Yin, New structure transistors for advanced technology node CMOS ICs, Natl. Sci. Rev. 11, nwae008 (2024).
- E. Beaurepaire, J.-C. Merle, A. Daunois, and J.-Y. Bigot, Ultrafast spin dynamics in ferromagnetic nickel, Phys. Rev. Lett. 76, 4250 (1996).
- U. Atxitia, O. Chubykalo-Fesenko, N. Kazantseva, D. Hinzke, U. Nowak, and R. W. Chantrell, Micromagnetic modeling of laser-induced magnetization dynamics using the Landau-Lifshitz-Bloch equation, Appl. Phys. Lett. 91, 232507 (2007).
- A. Kirilyuk, A. V. Kimel, and T. Rasing, Ultrafast optical manipulation of magnetic order, Rev. Mod. Phys. 82, 2731 (2010).
- T. Roth, A. J. Schellekens, S. Alebrand, O. Schmitt, D. Steil, B. Koopmans, M. Cinchetti, and M. Aeschlimann, Temperature dependence of laser-induced demagnetization in Ni: A key for identifying the underlying mechanism, Phys. Rev. X 2, 021006 (2012).
- M.-L. Xie, Y.-T. Zheng, J. Liu, W. Jin, C. Li, G. Lefkidis, and W. Hübner, First-principles study of the electronic and magnetic properties of Fe, Co, and Ni dimers adsorbed on polycyclic-aromatic-hydrocarbon molecules as well as the laser chirp effect on the ultrafast spin dynamics, Phys. Rev. B 103, 054433 (2021).
- Y. Zhang, J. Liu, W. Jin, G. Lefkidis, W. Hübner, and C. Li, Two-qubit logic gates based on the ultrafast spin transfer in -conjugated graphene nanoflakes, Carbon 193, 195 (2022).
- W. Jin, F. Rupp, K. Chevalier, M. M. N. Wolf, M. C. Rojas, G. Lefkidis, H.-J. Krüger, R. Diller, and W. Hübner, Combined theoretical and experimental study of spin and charge dynamics on the homodinuclear complex (L-)(emb)], Phys. Rev. Lett. 109, 267209 (2012).
- D. Chaudhuri, G. Lefkidis, and W. Hübner, All-spin-based ultrafast nanologic elements with a cluster, Phys. Rev. B 96, 184413 (2017).
- F. Chen, K. Nakano, Y. Kaji, and K. Tajima, Design of planar-zigzag semiconducting polymers to control chain orientation and electronic structure for organic photovoltaics, Mater. Chem. Front. 6, 3062 (2022).
- R. Farghadan, Mechanical spin splitting in zigzag graphene nanoribbons, Phys. Rev. B 110, 195411 (2024).
- Y. Zhang, S. Xu, J. Liu, W. Jin, G. Lefkidis, W. Hübner, S. Zhang, and C. Li, Position-dependent spin-dynamics in cobalt-substituted graphene nanoflakes, Phys. Chem. Chem. Phys. 27, 17811 (2025).
- Y. Zhang, J. Liu, C. Li, W. Jin, G. Lefkidis, and W. Hübner, Strain-modulated ultrafast magneto-optic dynamics of graphene nanoflakes decorated with transition-metal atoms, Chin. Phys. B 30, 097702 (2021).
- F. Ildarabadi and R. Farghadan, Spin-thermoelectric transport in nonuniform strained zigzag graphene nanoribbons, Phys. Rev. B 103, 115424 (2021).
- Y. An, M. Zhang, L. Chen, C. Xia, T. Wang, Z. Fu, Z. Jiao, and G. Xu, Spin-dependent electronic transport properties of zigzag silicon carbon nanoribbon, RSC Adv. 5, 107136 (2015).
- K.-i. Sasaki, K. Sato, R. Saito, J. Jiang, S. Onari, and Y. Tanaka, Local density of states at zigzag edges of carbon nanotubes and graphene, Phys. Rev. B 75, 235430 (2007).
- G. Lefkidis and W. Hübner, First-principles study of ultrafast magneto-optical switching in NiO, Phys. Rev. B 76, 014418 (2007).
- G. Lefkidis, G. P. Zhang, and W. Hübner, Angular momentum conservation for coherently manipulated spin polarization in photoexcited NiO: An ab initio calculation, Phys. Rev. Lett. 103, 217401 (2009).
- See Supplemental Material at http://link.aps.org/supplem- ental/10.1103/kwq8-7tvl for additional details on the process, spin-density distributions, supplementary spin flip and spin-transfer scenarios, and the effects of laser polarization angles, magnetic field strength, and double laser pulses on the spin dynamics.
- G. D. Förster and L. J. Lewis, Numerical study of double-pulse laser ablation of Al, Phys. Rev. B 97, 224301 (2018).
- M. Mattern, J.-E. Pudell, G. Laskin, A. von Reppert, and M. Bargheer, Analysis of the temperature- and fluence-dependent magnetic stress in laser-excited , Struct. Dyn. 8, 024302 (2021).
- E. Räsänen, A. Castro, J. Werschnik, A. Rubio, and E. Gross, Coherent quantum switch driven by optimized laser pulses, Physica E 40, 1593 (2008).
- P. Miró, M. Audiffred, and T. Heine, An atlas of two-dimensional materials, Chem. Soc. Rev. 43, 6537 (2014).
- K. Khan, A. K. Tareen, M. Aslam, R. Wang, Y. Zhang, A. Mahmood, Z. Ouyang, H. Zhang, and Z. Guo, Recent developments in emerging two-dimensional materials and their applications, J. Mater. Chem. C 8, 387 (2020).
- G. R. Bhimanapati, Z. Lin, V. Meunier, Y. Jung, J. Cha, S. Das, D. Xiao, Y. Son, M. S. Strano, V. R. Cooper, L. Liang, S. G. Louie, E. Ringe, W. Zhou, S. S. Kim, R. R. Naik, B. G. Sumpter, H. Terrones, F. Xia, Y. Wang, et al., Recent advances in two-dimensional materials beyond graphene, ACS Nano 9, 11509 (2015).
- M. Trushin and A. H. Castro Neto, Stability of a rolled-up conformation state for two-dimensional materials in aqueous solutions, Phys. Rev. Lett. 127, 156101 (2021).
- Y.-T. Ren, L. Hu, Y.-T. Chen, Y.-J. Hu, J.-L. Wang, P.-L. Gong, H. Zhang, L. Huang, and X.-Q. Shi, Two-dimensional monolayers and van der Waals heterostructures: Promising spintronic properties and band alignments, Phys. Rev. Mater. 6, 064006 (2022).
- K. S. Novoselov, A. Mishchenko, A. Carvalho, and A. H. C. Neto, 2D materials and van der Waals heterostructures, Science 353, aac9439 (2016).
- Y. Wang, C. Niu, B. Huang, Y. Dai, and W. Wei, Valley-contrasting physics in a two-dimensional -orbital honeycomb lattice, Phys. Rev. B 105, 075421 (2022).
- K. Takeda and K. Shiraishi, Theoretical possibility of stage corrugation in Si and Ge analogs of graphite, Phys. Rev. B 50, 14916 (1994).
- N. J. Roome and J. D. Carey, Beyond graphene: Stable elemental monolayers of silicene and germanene, ACS Appl. Mater. Interfaces 6, 7743 (2014).
- D. Jose and A. Datta, Understanding of the buckling distortions in silicene, J. Phys. Chem. C 116, 24639 (2012).
- P. Hohenberg and W. Kohn, Inhomogeneous electron gas, Phys. Rev. 136, B864 (1964).
- D. Jose and A. Datta, Structures and chemical properties of silicene: Unlike graphene, Acc. Chem. Res. 47, 593 (2014).
- S. Cahangirov, M. Topsakal, E. Aktürk, H. Şahin, and S. Ciraci, Two- and one-dimensional honeycomb structures of silicon and germanium, Phys. Rev. Lett. 102, 236804 (2009).
- P. Vogt, P. De Padova, C. Quaresima, J. Avila, E. Frantzeskakis, M. C. Asensio, A. Resta, B. Ealet, and G. Le Lay, Silicene: Compelling experimental evidence for graphenelike two-dimensional silicon, Phys. Rev. Lett. 108, 155501 (2012).
- S. M. Pratik, A. Nijamudheen, and A. Datta, Topochemical transformations of (X = C, Si, Ge) to form free-standing two-dimensional materials, Chem. A Eur. J. 21, 18454 (2015).
- C.-L. Lin, R. Arafune, N. Tsukahara, K. Kawahara, N. Takagi, and M. Kawai, Geometrical and electronic structures of planar and buckled silicene on Ag(111), APS March Meeting Abstracts 2012, A5.015 (2012).
- P. De Padova, H. Feng, J. Zhuang, Z. Li, A. Generosi, B. Paci, C. Ottaviani, C. Quaresima, B. Olivieri, M. Krawiec, and Y. Du, Synthesis of multilayer silicene on Si(111)-Ag, J. Phys. Chem. C 121, 27182 (2017).
- A. Stępniak-Dybala and M. Krawiec, Formation of silicene on ultrathin Pb(111) films, J. Phys. Chem. C 123, 17019 (2019).
- T. Jaroch, M. Krawiec, and R. Zdyb, Layered heterostructure of planar and buckled phases of silicene, 2D Mater. 8, 035038 (2021).
- A. Stpniak-Dybala, P. Dyniec, M. Kopciuszyski, R. Zdyb, M. Jałochowski, and M. Krawiec, Planar silicene: A new silicon allotrope epitaxially grown by segregation, Adv. Funct. Mater. 29, 1906053 (2019).
- B. Feng, Z. Ding, S. Meng, Y. Yao, X. He, P. Cheng, L. Chen, and K. Wu, Evidence of silicene in honeycomb structures of silicon on Ag(111), Nano Lett. 12, 3507 (2012).
- C.-L. Lin, R. Arafune, K. Kawahara, N. Tsukahara, E. Minamitani, Y. Kim, N. Takagi, and M. Kawai, Structure of silicene grown on Ag(111), Appl. Phys. Express 5, 045802 (2012).
- H. Jamgotchian, Y. Colignon, N. Hamzaoui, B. Ealet, J. Y. Hoarau, B. Aufray, and J. P. Bibérian, Growth of silicene layers on Ag(111): Unexpected effect of the substrate temperature, J. Phys.: Condens. Matter 24, 172001 (2012).
- Y. Feng, D. Liu, B. Feng, X. Liu, L. Zhao, Z. Xie, Y. Liu, A. Liang, C. Hu, Y. Hu, S. He, G. Liu, J. Zhang, C. Chen, Z. Xu, L. Chen, K. Wu, Y.-T. Liu, H. Lin, Z.-Q. Huang, et al., Direct evidence of interaction-induced Dirac cones in a monolayer silicene/Ag(111) system, Proc. Natl. Acad. Sci. USA 113, 14656 (2016).
- C. Hogan, O. Pulci, P. Gori, F. Bechstedt, D. S. Martin, E. E. Barritt, A. Curcella, G. Prevot, and Y. Borensztein, Optical properties of silicene, Si/Ag(111), and Si/Ag(110), Phys. Rev. B 97, 195407 (2018).
- M. Takahashi, Flat zigzag silicene nanoribbon with Be bridge, ACS Omega 6, 12099 (2021).
- B. Lalmi, H. Oughaddou, H. Enriquez, A. Kara, S. Vizzini, B. Ealet, and B. Aufray, Epitaxial growth of a silicene sheet, Appl. Phys. Lett. 97, 223109 (2010).
- Y. Du, J. Zhuang, J. Wang, Z. Li, H. Liu, J. Zhao, X. Xu, H. Feng, L. Chen, K. Wu, X. Wang, and S. X. Dou, Quasi-freestanding epitaxial silicene on Ag(111) by oxygen intercalation, Sci. Adv. 2, e1600067 (2016).
- D. Kuhness, H. J. Yang, H. W. Klemm, M. Prieto, G. Peschel, A. Fuhrich, D. Menzel, T. Schmidt, X. Yu, S. Shaikhutdinov, A. Lewandowski, M. Heyde, A. Kelemen, R. Włodarczyk, D. Usvyat, M. Schütz, J. Sauer, and H.-J. Freund, A two-dimensional ‘zigzag’ silica polymorph on a metal support, J. Am. Chem. Soc. 140, 6164 (2018).
- V. A. Sivakov, G. Brönstrup, B. Pecz, A. Berger, G. Z. Radnoczi, M. Krause, and S. H. Christiansen, Realization of vertical and zigzag single crystalline silicon nanowire architectures, J. Phys. Chem. C 114, 3798 (2010).
- M. Kopciuszyński and M. Krawiec, Robustness of linear bands in epitaxial planar silicene heterostructure against surface doping, Scr. Mater. 252, 116263 (2024).
- M. Ezawa, Valley-polarized metals and quantum anomalous Hall effect in silicene, Phys. Rev. Lett. 109, 055502 (2012).
- C. Gong and X. Zhang, Two-dimensional magnetic crystals and emergent heterostructure devices, Science 363, eaav4450 (2019).
- N. Sethulakshmi, A. Mishra, P. Ajayan, Y. Kawazoe, A. K. Roy, A. K. Singh, and C. S. Tiwary, Magnetism in two-dimensional materials beyond graphene, Mater. Today 27, 107 (2019).
- P. Huang, P. Zhang, S. Xu, H. Wang, X. Zhang, and H. Zhang, Recent advances in two-dimensional ferromagnetism: Materials synthesis, physical properties and device applications, Nanoscale 12, 2309 (2020).
- Y.-Y. Wang, R.-G. Quhe, D.-P. Yu, and J. Lü, Silicene spintronics—a concise review, Chin. Phys. B 24, 087201 (2015).
- J. Zhou, A. Bournel, Y. Wang, X. Lin, Y. Zhang, and W. Zhao, Silicene spintronics: Fe(111)/silicene system for efficient spin injection, Appl. Phys. Lett. 111, 182408 (2017).
- Y. Sun, Z. Zhuo, X. Wu, and J. Yang, Room-temperature ferromagnetism in two-dimensional nanosheet with enhanced spin-polarization ratio, Nano Lett. 17, 2771 (2017).
- Y. S. Liu, Y. J. Dong, J. Zhang, H. L. Yu, J. F. Feng, and X. F. Yang, Multi-functional spintronic devices based on boron- or aluminum-doped silicene nanoribbons, Nanotechnology 29, 125201 (2018).
- M. Zeng, L. Shen, M. Zhou, C. Zhang, and Y. Feng, Graphene-based bipolar spin diode and spin transistor: Rectification and amplification of spin-polarized current, Phys. Rev. B 83, 115427 (2011).
- Y. Zhang, J. Liu, C. Li, W. Jin, G. Lefkidis, and W. Hübner, Strain-promoted reversible spin transfer in rhombic graphene nanoflakes, Appl. Surf. Sci. 558, 149770 (2021).
- J. C. Slater, A simplification of the Hartree-Fock method, Phys. Rev. 81, 385 (1951).
- J. C. Slater, Magnetic effects and the Hartree-Fock equation, Phys. Rev. 82, 538 (1951).
- C. Froese, Hartree-Fock procedure for some configurations, Phys. Rev. 150, 1 (1966).
- A. K. Kerman and A. Klein, Generalized Hartree-Fock approximation for the calculation of collective states of a finite many-particle system, Phys. Rev. 132, 1326 (1963).
- W. Duch and J. Karwowski, Symmetric group approach to configuration interaction methods, Comput. Phys. Rep. 2, 93 (1985).
- M. N. Weaver, Y. Yang, and K. M. J. Merz, Assessment of the CCSD and CCSD(T) coupled-cluster methods in calculating heats of formation for Zn complexes, J. Phys. Chem. A 113, 10081 (2009).
- B. Maity, Y. Minenkov, and L. Cavallo, Evaluation of experimental alkali metal ion–ligand noncovalent bond strengths with DLPNO-CCSD(T) method, J. Chem. Phys. 151, 014301 (2019).
- D. Bokhan, S. Ten-no, and J. Noga, Implementation of the CCSD(T)-F12 method using cusp conditions, Phys. Chem. Chem. Phys. 10, 3320 (2008).
- D. Dutta, G. Lefkidis, and W. Hübner, Role of the static correlations on the ultrafast spin dynamics of molecular nano-magnets, Phys. Scr. 95, 065805 (2020).
- R. J. Bartlett and M. Musiał, Coupled-cluster theory in quantum chemistry, Rev. Mod. Phys. 79, 291 (2007).
- M. Kállay and P. R. Surján, Higher excitations in coupled-cluster theory, J. Chem. Phys. 115, 2945 (2001).
- T. S. Haugland, E. Ronca, E. F. Kjønstad, A. Rubio, and H. Koch, Coupled cluster theory for molecular polaritons: Changing ground and excited states, Phys. Rev. X 10, 041043 (2020).
- G. D. Purvis and R. J. Bartlett, A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples, J. Chem. Phys. 76, 1910 (1982).
- J. F. Stanton and R. J. Bartlett, The equation of motion coupled‐cluster method. a systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties, J. Chem. Phys. 98, 7029 (1993).
- A. Szabo and N. S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover Publications, New York, 1996).
- G. Lefkidis and W. Hübner, Ab initio treatment of optical second harmonic generation in NiO, Phys. Rev. Lett. 95, 077401 (2005).
- G. Lefkidis and W. Hübner, Phononic effects and nonlocality contributions to second harmonic generation in NiO, Phys. Rev. B 74, 155106 (2006).
- G. Pal, G. Lefkidis, H. C. Schneider, and W. Hübner, Optical response of small closed-shell sodium clusters, J. Chem. Phys. 133, 154309 (2010).
- S. M. Islam, S. D. Huelin, M. Dawe, and R. A. Poirier, Comparison of the standard 6-31G and Binning-Curtiss basis sets for third row elements, J. Chem. Theory Comput. 4, 86 (2008).
- M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery Jr., General atomic and molecular electronic structure system, J. Comput. Chem. 14, 1347 (1993).
- G. Malka and J. L. Miquel, Experimental confirmation of ponderomotive-force electrons produced by an ultrarelativistic laser pulse on a solid target, Phys. Rev. Lett. 77, 75 (1996).
- S. V. Bulanov, T. Z. Esirkepov, N. M. Naumova, F. Pegoraro, and V. A. Vshivkov, Solitonlike electromagnetic waves behind a superintense laser pulse in a plasma, Phys. Rev. Lett. 82, 3440 (1999).
- K. W. D. Ledingham, I. Spencer, T. McCanny, R. P. Singhal, M. I. K. Santala, E. Clark, I. Watts, F. N. Beg, M. Zepf, K. Krushelnick, M. Tatarakis, A. E. Dangor, P. A. Norreys, R. Allott, D. Neely, R. J. Clark, A. Machacek, J. S. Wark, A. J. Cresswell, D. C. W. Sanderson, et al., Photonuclear physics when a multiterawatt laser pulse interacts with solid targets, Phys. Rev. Lett. 84, 899 (2000).
- S. Sakabe, M. Hashida, S. Tokita, S. Namba, and K. Okamuro, Mechanism for self-formation of periodic grating structures on a metal surface by a femtosecond laser pulse, Phys. Rev. B 79, 033409 (2009).
- R. R. Freeman, P. H. Bucksbaum, H. Milchberg, S. Darack, D. Schumacher, and M. E. Geusic, Above-threshold ionization with subpicosecond laser pulses, Phys. Rev. Lett. 59, 1092 (1987).
- X. Q. Yan, C. Lin, Z. M. Sheng, Z. Y. Guo, B. C. Liu, Y. R. Lu, J. X. Fang, and J. E. Chen, Generating high-current monoenergetic proton beams by a circularly polarized laser pulse in the phase-stable acceleration regime, Phys. Rev. Lett. 100, 135003 (2008).
- C. Ren, B. J. Duda, R. G. Hemker, W. B. Mori, T. Katsouleas, T. M. Antonsen, and P. Mora, Compressing and focusing a short laser pulse by a thin plasma lens, Phys. Rev. E 63, 026411 (2001).
- E. G. Neyra, P. Vaveliuk, E. Pisanty, A. S. Maxwell, M. Lewenstein, and M. F. Ciappina, Principal frequency of an ultrashort laser pulse, Phys. Rev. A 103, 053124 (2021).
- L. Feder, B. Miao, J. E. Shrock, A. Goffin, and H. M. Milchberg, Self-waveguiding of relativistic laser pulses in neutral gas channels, Phys. Rev. Res. 2, 043173 (2020).
- F. Neese, T. Petrenko, D. Ganyushin, and G. Olbrich, Advanced aspects of ab initio theoretical optical spectroscopy of transition metal complexes: Multiplets, spin-orbit coupling and resonance Raman intensities, Coord. Chem. Rev. 251, 288 (2007).
- S. Koseki, M. W. Schmidt, and M. S. Gordon, Effective nuclear charges for the first- through third-row transition metal elements in spin-orbit calculations, J. Phys. Chem. A 102, 10430 (1998).
- C. Li, T. Hartenstein, G. Lefkidis, and W. Hübner, First-principles calculation of the ultrafast spin manipulation of two-center metallic clusters with a CO molecule attached to one center as an infrared marker, Phys. Rev. B 79, 180413(R) (2009).
- C. Li, W. Jin, H. Xiang, G. Lefkidis, and W. Hübner, Theory of laser-induced ultrafast magneto-optic spin flip and transfer in charged two-magnetic-center molecular ions: Role of bridging atoms, Phys. Rev. B 84, 054415 (2011).
- J. R. Cash and A. H. Karp, A variable order Runge-Kutta method for initial value problems with rapidly varying right-hand sides, ACM Trans. Math. Softw. 16, 201 (1990).
- T. Hartenstein, C. Li, G. Lefkidis, and W. Hübner, Local light-induced spin manipulation in two magnetic centre metallic chains, J. Phys. D: Appl. Phys. 41, 164006 (2008).
- R. Porotti, V. Peano, and F. Marquardt, Gradient-ascent pulse engineering with feedback, PRX Quantum 4, 030305 (2023).
- Y. Wang, Y. Xie, P. Wei, R. B. King, H. F. Schaefer, P. von R. Schleyer, and G. H. Robinson, A stable silicon(0) compound with a Si=Si double bond, Science 321, 1069 (2008).
- S. Huzinaga, Y. Sakai, E. Miyoshi, and S. Narita, Extended Mulliken electron population analysis, J. Chem. Phys. 93, 3319 (1990).
- S. Saha, R. K. Roy, and P. W. Ayers, Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition? Int. J. Quantum Chem. 109, 1790 (2009).
- Y. Han, X. Wang, S. Wang, and J.-G. Wan, Uniaxial magnetic anisotropy and weak phonon–spin coupling of a single Ni atom bonded to iridium-doped graphene, Appl. Phys. Lett. 126, 022409 (2025).
- T. Alonso-Lanza, J. W. González, F. Aguilera-Granja, and A. Ayuela, Out-of-plane magnetic anisotropy energy in the molecule, Phys. Chem. Chem. Phys. 21, 5305 (2019).
- S. Sahoo, S. N. Khanna, and P. Entel, Controlling the magnetic anisotropy of Ni cluster supported on graphene flakes with topological defects, Appl. Phys. Lett. 107, 043102 (2015).
- I. G. Rau, S. Baumann, S. Rusponi, F. Donati, S. Stepanow, L. Gragnaniello, J. Dreiser, C. Piamonteze, F. Nolting, S. Gangopadhyay, O. R. Albertini, R. M. Macfarlane, C. P. Lutz, B. A. Jones, P. Gambardella, A. J. Heinrich, and H. Brune, Reaching the magnetic anisotropy limit of a metal atom, Science 344, 988 (2014).
- P. Knight and P. Milonni, The Rabi frequency in optical spectra, Phys. Rep. 66, 21 (1980).
- J. Talukdar and D. Blume, Undamped Rabi oscillations due to polaron-emitter hybrid states in a nonlinear photonic waveguide coupled to emitters, Phys. Rev. A 106, 013722 (2022).
- S. L. Bayliss, D. W. Laorenza, P. J. Mintun, B. D. Kovos, D. E. Freedman, and D. D. Awschalom, Optically addressable molecular spins for quantum information processing, Science 370, 1309 (2020).
- J. Wróbel, T. Dietl, A. Łusakowski, G. Grabecki, K. Fronc, R. Hey, K. H. Ploog, and H. Shtrikman, Spin filtering in a hybrid ferromagnetic-semiconductor microstructure, Phys. Rev. Lett. 93, 246601 (2004).
- M. Kustov, P. Laczkowski, D. Hykel, K. Hasselbach, F. Dumas-Bouchiat, D. O'Brien, P. Kauffmann, R. Grechishkin, D. Givord, G. Reyne, O. Cugat, and N. M. Dempsey, Magnetic characterization of micropatterned Nd–Fe–B hard magnetic films using scanning Hall probe microscopy, J. Appl. Phys. 108, 063914 (2010).
- H. J. Mamin, C. T. Rettner, M. H. Sherwood, L. Gao, and D. Rugar, High field-gradient dysprosium tips for magnetic resonance force microscopy, Appl. Phys. Lett. 100, 013102 (2012).
- B. Schüler, M. Cerchez, H. Xu, J. Schluck, T. Heinzel, D. Reuter, and A. D. Wieck, Observation of quantum states without a semiclassical equivalence bound by a magnetic field gradient, Phys. Rev. B 90, 201111(R) (2014).
- N. M. Dempsey, D. Le Roy, H. Marelli-Mathevon, G. Shaw, A. Dias, R. B. G. Kramer, L. Viet Cuong, M. Kustov, L. F. Zanini, C. Villard, K. Hasselbach, C. Tomba, and F. Dumas-Bouchiat, Micro-magnetic imprinting of high field gradient magnetic flux sources, Appl. Phys. Lett. 104, 262401 (2014).
- A. Pinar Solé, M. Kumar, D. Soler-Polo, O. Stetsovych, and P. Jelínek, Nickelocene SPM tip as a molecular spin sensor, J. Phys.: Condens. Matter 37, 095802 (2025).
- D. Li, N. Cao, A. S. Foster, and S. Kawai, Br-mediated spin-state control in nickelocene and cobaltocene, J. Am. Chem. Soc. 148, 3356 (2026).
- J. Dreiser, C. Wäckerlin, M. E. Ali, C. Piamonteze, F. Donati, A. Singha, K. S. Pedersen, S. Rusponi, J. Bendix, P. M. Oppeneer, T. A. Jung, and H. Brune, Exchange interaction of strongly anisotropic tripodal erbium single-ion magnets with metallic surfaces, ACS Nano 8, 4662 (2014).
- S. Zhang, S. A. Dayeh, Y. Li, S. A. Crooker, D. L. Smith, and S. T. Picraux, Electrical spin injection and detection in silicon nanowires through oxide tunnel barriers, Nano Lett. 13, 430 (2013).
- D. Singh and M. Kumar, Study of magnetic anisotropy in Si/Ni multilayers by static and dynamic magnetization processes, J. Mater. Sci.: Mater. Electron. 33, 24942 (2022).
- S. Laterza, A. Caretta, R. Bhardwaj, R. Flammini, P. Moras, M. Jugovac, P. Rajak, M. Islam, R. Ciancio, V. Bonanni, B. Casarin, A. Simoncig, M. Zangrando, P. R. Ribič, G. Penco, G. D. Ninno, L. Giannessi, A. Demidovich, M. Danailov, F. Parmigiani, et al., All-optical spin injection in silicon investigated by element-specific time-resolved Kerr effect, Optica 9, 1333 (2022).
- S. Laterza, A. Caretta, R. Bhardwaj, P. Moras, Z. Nicola, R. Flammini, and M. Malvestuto, Doping dependent intrinsic magnetization in silicon in Ni/Si heterostructures, Sci. Rep. 14, 1329 (2024).