First-Principles Study of the Ultrafast, Laser-Induced Spin Transferability in the Multi-center Magnetic Cluster Ni3Na2

Xiang, Hongping; Lefkidis, Georgios; Hübner, Wolfgang

doi:10.1007/s10948-012-2000-8

Cited by 5 publications

(1 citation statement)

References 7 publications

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“…We use third-row-transition metal as our preferred magnetic atoms primarily because they act as simple prototypic model systems which can easily be manipulated in experiments (mass spectrometry) and are less atomistic than the fourth-row-transition-metal atoms (in the sense that there is usually a larger overlap of their electronic states). Various properties of Co and Ni clusters have already been investigated [29][30][31][32][33][34][35][36], revealing that their complex electronic structure renders the optical manipulation of the spin very flexible and efficient.…”

Section: Introductionmentioning

confidence: 99%

Ultrafast spin dynamics in magnetic trimer and tetramer clusters: a step towards prototypic spin-SHIFT registers

Lefkidis,

Chaudhuri,

Jin

et al. 2024

Phys. Scr.

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Ultrafast magnetic dynamics is a necessary ingredient for magnetic recording and ultrafast information processing.The shift functionality, although not mandatory for Boolean logic, is always implemented in CMOSCPUs and therefore must be also present in magnetic logic. In this respect, using ab initio calculations we showultrafast spin dynamics in molecular clusters such as Co+3 CO and Ni4. In this work, we establish that clusterswith magnetic atoms can provide a theoretical toolbox for efficient spin charge dynamics whose operation timecan range up to a few picoseconds. The prime underlying mechanism for all spin manipulation scenarios in theabove mentioned clusters are laser-induced Λ processes where the laser parameters are fully optimized using agenetic algorithm. In general, a structural asymmetry enforces substantial spin localization on the active centersof both the magnetic clusters. Keeping in mind the shift functionality, we theoretically suggest a series of spintransfer scenarios between the Co and Ni atoms in each of these two clusters independently to construct a 3-bitand a 4-bit cyclic spin-shift register, respectively. The maximum operational time for both the logic devices are2 ps, which is much faster than the response time of conventional spintronic devices. Additionally, for a betterunderstanding of the transfer cycles, their feasibility and reversibility are also investigated through the analysisof the optical spectra of the related states. Our results provide important theoretical guidance for ultrafast spinmanipulation in molecular structures as well as their potential spin functionality, and thus step closer to the realizationof future spin-based logic devices and quantum computation. This effectively motivates the investigationand precise establishment of the shift functionality in magnetic trimers and tetramers.

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Section: Introductionmentioning

confidence: 99%

Ultrafast spin dynamics in magnetic trimer and tetramer clusters: a step towards prototypic spin-SHIFT registers

Lefkidis,

Chaudhuri,

Jin

et al. 2024

Phys. Scr.

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Ab initio theory for femtosecond spin dynamics, angle-resolved fidelity analysis, and the magneto-optical Kerr effect in the Ni3(CH3OH) and Co3+(CH3OH) clusters

Chaudhuri

Jin

Lefkidis

et al. 2015

The Journal of Chemical Physics

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We present a systematic analysis of the ab initio controlled femtosecond spin dynamics in Ni3(CH3OH) and Co3(+)(CH3OH) clusters achieved by a spin-orbit-coupling enabled Λ process. The distortion caused by the attachment of CH3OH to one of the active magnetic centers of the Ni3 and the Co3(+) clusters induces asymmetric geometries which result in well localized spin densities on the magnetic centers. With the use of high-level quantum chemistry methods, successful spin-flip scenarios are demonstrated for both clusters. In order to assess the experimental accessibility of those effects, we compute their tolerance with respect to two laser pulse parameters, i.e., the energy detuning as well as the deviation of the polar angle ϕ from its optimized value. Finally, we calculate the magneto-optical Kerr effect in order to connect to the susceptibility tensor χ as an experimentally measurable quantity.

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Theoretical study of electronic structures, magnetic properties, and ultrafast spin manipulation in transition metal adsorbed polycyclic-aromatic-hydrocarbon molecules

Xie,

Ma,

et al. 2024

The Journal of Chemical Physics

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We present a first-principles study of the structural, electronic, and magnetic properties of TM(PAH)0/+ (TM = Fe, Co, Ni; PAH = C10H8, C16H10, C24H12, C32H14) complexes and explore the laser-induced spin dynamics as well as their stability with respect to various laser parameters. For each complex, the most stable configuration shows that the TM atom prefers to adsorb at the hollow site of the carbon ring with a slight deviation from the center. The electronic structure and spin localization of the complexes are found to be largely affected by the TM type. Driven by various laser pulses, spin-crossover scenarios are achieved in all structures, while spin-transfer between TM and PAH is achieved in Ni(C10H8), Ni(C16H10), and Ni(C24H12). The influence of the laser energy and chirp on the dynamics is also investigated, providing important information regarding the stability and sensitivity of the dynamical process. All results are believed to reveal the physics nature of the TM–PAH systems, to guide the experimental realization of their ultrafast spin dynamics and thus to promote their applications in future spintronics.

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First-Principles Study of the Ultrafast, Laser-Induced Spin Transferability in the Multi-center Magnetic Cluster Ni3Na2

Cited by 5 publications

References 7 publications

Ultrafast spin dynamics in magnetic trimer and tetramer clusters: a step towards prototypic spin-SHIFT registers

Ultrafast spin dynamics in magnetic trimer and tetramer clusters: a step towards prototypic spin-SHIFT registers

Ab initio theory for femtosecond spin dynamics, angle-resolved fidelity analysis, and the magneto-optical Kerr effect in the Ni3(CH3OH) and Co3+(CH3OH) clusters

Theoretical study of electronic structures, magnetic properties, and ultrafast spin manipulation in transition metal adsorbed polycyclic-aromatic-hydrocarbon molecules

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