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We present a quantum dynamics study on the isotope effects of hydrogen transfer isomerization in the formic acid dimer, and this is achieved by multidimensional dynamics calculations with an efficient quantum mechanical theoretical scheme developed by our group, on a full-dimensional neural network ab initio potential energy surface. The ground-state and fundamental tunneling splittings for four deuterium isotopologues of formic acid dimer are considered, and the calculated results are in very good general agreement with the available experimental measurements. Strong isotope effects are revealed, the mode-specific fundamental excitation effects on the tunneling rate are evidently influenced by the deuterium substitution of H atom with the substitution on the OH bond being more effective than on the CH bond. Our studies are helpful for acquiring a better understanding of isotope effects in the double-hydrogen transfer processes. [ABSTRACT FROM AUTHOR]

Magnetic skyrmions are topological quasiparticles with nanoscale size and high mobility, which have potential applications in information storage and spintronic devices. Here, we computationally investigate the dynamics of isolated skyrmions in a ferromagnetic racetrack, where magnetic properties of the edges are enhanced and modified, forming a channel with lower magnetic anisotropy for skyrmion motion. It is found that the rectangular notch at the edge can have a pinning effect on the skyrmion and enrich the dynamics of the skyrmion. Based on the racetrack with modified edges and the notch, we design a racetrack that realizes the skyrmionic logic AND, OR, and NOT gates as well as the diode in the same magnetic racetrack. It is found that the driving current density could be much smaller than those used in previous designs of skyrmion-based logic gates. By slightly altering the shape of the racetrack, we also design the NAND and NOR gates. Finally, we study the feasibility of our design at finite temperatures. Our results may contribute to the design of nonvolatile spintronic devices with integrated multiple functions and ultra-low energy consumption. [ABSTRACT FROM AUTHOR]

Antiferromagnets are promising materials for future spintronic applications due to their unique properties including zero stray fields, robustness vs external magnetic fields, and ultrafast dynamics, which have attracted extensive interest in recent years. In this work, we investigate the dynamics of isolated skyrmions in an antiferromagnetic nanotrack with a voltage-gated region. It is found that the skyrmion can be jointly controlled by the driving current and the voltage-controlled magnetic anisotropy gradient. We further propose a design of logic computing gates based on the manipulation of antiferromagnetic skyrmions, which is numerically realized combining several interactions and phenomena, including the spin Hall effect, voltage-controlled magnetic anisotropy effect, skyrmion–skyrmion interaction, and skyrmion–edge interaction. The proposed logic gates can perform the basic Boolean operations of the logic AND, OR, NOT, NAND, and NOR gates. Our results may have a great impact on fundamental physics and be useful for designing future nonvolatile logic computing devices with ultra-low energy consumption and ultra-high storage density. [ABSTRACT FROM AUTHOR]