Search

A method combining denoising diffusion probabilistic models (DDPMs) with the string method is presented to generate minimum free energy paths between metastable states in molecular systems. It has been demonstrated in recent work that DDPMs at low noise levels can approximate the gradient of the potential of mean force, allowing efficient sampling of high-dimensional configurational spaces. Building on this insight, it is shown here that DDPM-derived force fields accurately generate transition pathways for the analytical Muller-Brown potential and for the alanine dipeptide system at some range of noise levels for DDPMs, recovering the transition path and implicitly capturing solvent effects in the case of alanine dipeptide., Comment: 3 pages, 3 figures

The absence of stray fields, their insensitivity to external magnetic fields, and ultrafast dynamics make antiferromagnets promising candidates for active elements in spintronic devices. Here, we demonstrate manipulation of the N\'{e}el vector in the metallic collinear antiferromagnet Mn$_2$Au by combining strain and femtosecond laser excitation. Applying tensile strain along either of the two in-plane easy axes and locally exciting the sample by a train of femtosecond pulses, we align the N\'{e}el vector along the direction controlled by the applied strain. The dependence on the laser fluence and strain suggests the alignment is a result of optically-triggered depinning of 90$^{\mathrm{o}}$ domain walls and their sliding in the direction of the free energy gradient, governed by the magneto-elastic coupling. The resulting, switchable, state is stable at room temperature and insensitive to magnetic fields. Such an approach may provide ways to realize robust high-density memory device with switching timescales in the picosecond range.

Metallic antiferromagnets with broken inversion symmetry on the two sublattices, strong spin-orbit coupling and high N\'{e}el temperatures offer new opportunities for applications in spintronics. Especially Mn$_{2}$Au, with high N\'{e}el temperature and conductivity, is particularly interesting for real-world applications. Here, manipulation of the orientation of the staggered magnetization,\textit{\ i.e.} the N\'{e}el vector, by current pulses has been recently demonstrated, with the read-out limited to studies of anisotropic magnetoresistance or X-ray magnetic linear dichroism. Here, we report on the in-plane reflectivity anisotropy of Mn$_{2}$Au (001) films, which were N\'{e}el vector aligned in pulsed magnetic fields. In the near-infrared, the anisotropy is $\approx$ 0.6\%, with higher reflectivity for the light polarized along the N\'{e}el vector. The observed magnetic linear dichroism is about four times larger than the anisotropic magnetoresistance. This suggests the dichroism in Mn$_{2}$Au is a result of the strong spin-orbit interactions giving rise to anisotropy of interband optical transitions, in-line with recent studies of electronic band-structure. The considerable magnetic linear dichroism in the near-infrared could be used for ultrafast optical read-out of the N\'{e}el vector in Mn$_{2}$Au.

BaNi$_{2}$As$_{2}$ is a non-magnetic analogue of BaFe$_{2}$As$_{2}$, the parent compound of a prototype pnictide high-temperature superconductor, displaying superconductivity already at ambient pressure. Recent diffraction studies demonstrated the existence of two types of periodic lattice distortions above and below the triclinic phase transition, suggesting the existence of an unconventional charge-density-wave (CDW) order. The suppression of CDW order upon doping results in a sixfold increase in the superconducting transition temperature and enhanced nematic fluctuations, suggesting CDW is competing with superconductivity. Here, we apply time-resolved optical spectroscopy to investigate collective dynamics in BaNi$_{2}$As$_{2}$. We demonstrate the existence of several CDW amplitude modes. Their smooth evolution through the structural phase transition implies the commensurate CDW order in the triclinic phase evolves from the high-temperature unidirectional incommensurate CDW, and may indeed trigger the structural phase transition. Excitation density dependence reveals exceptional resilience of CDW against perturbation, implying an unconventional origin of the underlying electronic instability.