Unraveling the Nature of Spin Coupling in a Metal-Free Diradical: Theoretical Distinction of Ferromagnetic and Antiferromagnetic Interactions

L Zuo, L Ye, X Li, RX Xu, YJ Yan… - The Journal of Physical …, 2024 - ACS Publications
Metal-free diradicals based on polycyclic aromatic hydrocarbons are promising candidates
for organic spintronics due to their stable magnetism and tunable spin coupling. However …

Unconventional Surface Doping Effect on the Spin State of an Adsorbed Magnetic Molecule

D He, D Zhang, L Yang, L Ye, RX Xu… - The Journal of Physical …, 2024 - ACS Publications
Magnetic molecules adsorbed on two-dimensional (2D) substrates have attracted broad
attention because of their potential applications in quantum device applications …

Solving quantum impurity problems on the L-shaped Kadanoff-Baym contour

R Chen, C Guo - arXiv preprint arXiv:2404.05410, 2024 - arxiv.org
The path integral formalism is the building block of many powerful numerical methods for
quantum impurity problems. However, existing path integral based numerical calculations …