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We investigate the magnetic properties of Fe Phthalocyanines (FePc) that are experimentally arranged in quasi one-dimensional chains when they are grown in thin films or powders. By means of DFT calculations we reproduce the structural parameters found in experiments, and then we build a generalized Heisenberg magnetic model with single ion anisotropy, and calculate its parameters. The results show a anisotropic exchange interaction $J$ between FePc molecules, and an easy plane single ion anisotropy $D$. By means of Monte Carlo simulations, with this model, we found an explanation to the non-saturation of the magnetization found at high fields, which we interpret is due to the anisotropic exchange interaction $J$. Finally, we also investigate the presence of magnetic solitons versus temperature and magnetic field. This results provide additional evidence that FePc is a soliton bearing molecular compound, with solitons easily excited mainly in the molecular $xy$ plane.

Proof formats for SAT solvers have diversified over the last decade, enabling new features such as extended resolution-like capabilities, very general extension-free rules, inclusion of proof hints, and pseudo-boolean reasoning. Interference-based methods have been proven effective, and some theoretical work has been undertaken to better explain their limits and semantics. In this work, we combine the subsumption redundancy notion from (Buss, Thapen 2019) and the overwrite logic framework from (Rebola-Pardo, Suda 2018). Natural generalizations then become apparent, enabling even shorter proofs of the pigeonhole principle (compared to those from (Heule, Kiesl, Biere 2017)) and smaller unsatisfiable core generation., Comment: 21 pages

Spin reorientation transitions and other related magnetic phenomena, which owe their origin to the complex interplay between multiple magnetic sublattices, have long attracted scientific attention both from the perspective of fundamental curiosity and technological applications. In this study, combining first principles calculations together with finite temperature Monte Carlo simulations, we explore the possible origins of reorientation transition of Cr spins in NdCrO$_3$. We construct a NdCrO$_3$ specific magnetic model, consisting of symmetric superexchange interactions between magnetic ions, as well as their magnetic anisotropy. We show that the observed spin reorientation in NdCrO$_3$, arises out of a delicate balance between Nd$-$Cr magnetic exchange interactions, single ion anisotropy of Nd spins, and single ion anisotropy of Cr spins. Moreover, though our model does not take into consideration the effect of anti-symmetric and anisotropic-symmetric magnetic exchanges, the qualitative as well as quantitative agreement of the theoretically derived and the experimentally observed spin-reorientation transition in NdCrO$_3$, confirms the merit of our proposed microscopic model. Our results also propose a hitherto unobserved collective magnetic ordering in Nd sublattice, which is challenging to detect as it is an extreme low temperature phenomena, therefore calls for further investigations., Comment: 9 pages, 5 figures and 1 table

Motivated by recent experiments, here we study the indirect interactions between magnetic impurities deposited on top of a clean Pb(110) surface induced by the underlying conduction electrons. Our approach makes use of \textit{ab initio} calculations to characterize the clean Pb(110) surface and avoids self-consistency, a feature that greatly reduces the computational cost. In combination with 2$^{\text{nd}}$ order perturbation theory in the microscopic \textit{s-d} exchange parameter $J_{K}$ between a magnetic adatom and the conduction electrons, we are able to systematically derive the Ruderman-Kittel-Kasuya-Yosida (RKKY), the Dzyaloshinskii-Moriya (DM) and the anisotropic tensor interactions emerging at the Pb(110) surface between magnetic impurities. The only adjustable parameter is $J_{K}$, which is fitted to reproduce the experiments. Our results show important anisotropy effects arising both from the rectangular geometry of the (110) unit cell, and from the strong Rashba spin-orbit interaction due to the broken inversion symmetry at the Pb(110) surface. In addition to Pb(110), the characterization of the indirect spin interactions described here could be extended to other realistic metallic surfaces for weakly-coupled impurities, and would enable to fabricate atomic-size nanostructures with engineered interactions and on-demand magnetic properties, anticipating useful applications in nanotechnology., Comment: 10 pages, 5 figures

Recent experimental advances in using strain engineering to significantly alter the band structure of moderately correlated systems offer opportunities and challenges to weak-coupling renormalization group (RG) analysis approaches for predicting superconducting instabilities. On one hand, the RG approach can provide theoretical guidance. On the other hand, it is now imperative to better understand how the predictions of the RG approach depends on microscopic and non-universal model details. Here we focus on the effect of band-selective mass-renormalization often observed in angle resolved photoemission spectroscopy. Focusing on a specific example of uniaxially strained $\rm{Sr_2RuO_4}$ we carry out the weak-coupling RG analysis from two sets of band structures as starting points: one is based on density functional theory (DFT) calculations and the other is based on angle-resolved photoemission spectroscopy (ARPES) measurements. Despite good agreement between the Fermi surfaces of the the two band structures we find the two sets of band structures to predict qualitatively different trends in the strain dependence of the superconducting transition temperature $T_c$ as well as the dominant channel., Comment: 4 pages, 2 figures

The key challenge in superconductivity research is to go beyond the historical mode of discovery-driven research. We put forth a new strategy, which is to combine theoretical developments in the weak-coupling renormalization group approach with the experimental developments in lattice strain driven Fermi surface-engineering. For concreteness we theoretically investigate how superconducting tendencies will be affected by strain engineering of ruthenates' Fermi surface. We first demonstrate that our approach qualitatively reproduces recent experiments under uniaxial strain. We then note that order few $\%$ strain readily accessible to epitaxial thin films, can bring the Fermi surface close to van Hove singularity. Using the experimental observation of the change in the Fermi surface under biaxial epitaxial strain and ab-initio calculations, we predict ${\rm T}_{\rm c}$ for triplet pairing to be maximized by getting close to the van Hove singularities without tuning on to the singularity., Comment: 5 + 2 pages, 4 + 5 figures