We present a protocol to selectively decouple, recouple, and engineer effective interactions in mesoscopic dipolar spin networks. In particular, we develop a versatile protocol that relies upon magic angle spinning to perform Hamiltonian engineering. By using global control fields in conjunction with a local actuator, such as a diamond nitrogen vacancy center located in the vicinity of a nuclear spin network, both global and local control over the effective couplings can be achieved. We show that the resulting effective Hamiltonian can be well understood within a simple, intuitive geometric picture, and corroborate its validity by performing exact numerical simulations in few-body systems. Applications of our method are in the emerging fields of two-dimensional room temperature quantum simulators in diamond platforms, as well as in molecular magnet systems.
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http://dx.doi.org/10.1103/PhysRevLett.122.013205 | DOI Listing |
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January 2025
Department of Applied Physics, Nagoya University, Nagoya, 464-8603, Japan.
Moiré superlattices formed in van der Waals (vdW) bilayers of 2D materials provide an ideal platform for studying previously undescribed physics, including correlated electronic states and moiré excitons, owing to the wide-range tunability of their lattice constants. However, their crystal symmetry is fixed by the monolayer structure, and the lack of a straightforward technique for modulating the symmetry of moiré superlattices has impeded progress in this field. Herein, a simple, room-temperature, ambient method for controlling superlattice symmetry is reported.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Institute for Molecular Modeling and Simulation, Department of Material Sciences and Process Engineering, University of Natural Resources and Life Sciences, Vienna, Muthgasse 18, Vienna 1190, Austria.
In the past decade, machine-learned potentials (MLP) have demonstrated the capability to predict various QM properties learned from a set of reference QM calculations. Accordingly, hybrid QM/MM simulations can be accelerated by replacement of expensive QM calculations with efficient MLP energy predictions. At the same time, alchemical free-energy perturbations (FEP) remain unachievable at the QM level of theory.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Center for Ultrafast Science and Technology, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China.
Fermi resonance is a common phenomenon, and a hidden caveat exists in the applications of infrared probes, causing spectral complication and shorter vibrational lifetime. In this work, using the cyanotryptophan (CNTrp) side chain model compound 5-cyanoindole (CN-5CNI), we performed Fourier transform infrared spectroscopy (FTIR) and two-dimensional infrared (2D-IR) spectroscopy on unlabeled CN-5CNI and its isotopically labeled substituents (CN-5CNI, CN-5CNI, CN-5CNI) and demonstrated the existence of Fermi resonance in 5CNI. By constructing the Hamiltonian and simulating 2D-IR spectra, we show that the distinct Fermi resonance 2D-IR patterns in various isotope substituents are determined by the quantum mixing consequences at the = 1 state, as well as the = 2 state, where the Fermi coupling and anharmonicity play a crucial role.
View Article and Find Full Text PDFChaos
January 2025
School of Electronic Information, Central South University, Changsha 410083, China.
Memristors are commonly used to introduce various chaotic systems and can be used to enhance their chaotic characteristics. However, due to the strict construction conditions of Hamiltonian systems, there has been limited research on the development of memristive Hamiltonian conservative chaotic systems (MHCCSs). In this work, a method for constructing three-terminal memristors is proposed, and the three-terminal memristors are incorporated into the Hamiltonian system, resulting in the development of a class of n-D MHCCS.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
School of Physical Science and Technology, Southwest University, Chongqing 400715, China.
Searching for single-molecule magnets (SMM) with large effective blocking barriers, long relaxation times, and high magnetic blocking temperatures is vitally important not only for the fundamental research of magnetism at the molecular level but also for the realization of new-generation magnetic memory unit. Actinides (An) atoms possess extremely strong spin-orbit coupling (SOC) due to their 5 orbitals, and their ground multiplets are largely split into several sublevels because of the strong interplay between the SOC of An atoms and the crystal field (CF) formed by ligand atoms. Compared to TM-based SMMs, more dispersed energy level widths of An-based SMMs will give a larger total zero field splitting (ZFS) and thus provide a necessary condition to derive a higher .
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