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Register a new userInter-electron interactions and the RKKY potential between H adatoms in graphene
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We use first-principles Quantum Monte-Carlo simulations to study the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between hydrogen adatoms attached to a graphene sheet. We find that the pairwise RKKY interactions at distances of a few lattice spacings are strongly affected by inter-electron interactions, in particular, the potential barrier between widely separated adatoms and the dimer configuration becomes wider and thus harder to penetrate. We also point out that anti-ferrromagnetic and charge density wave orderings have very different effects on the RKKY interaction. Finally, we analyze the stability of several regular adatom superlattices with respect to small displacements of a single adatom, distinguishing the cases of adatoms which populate either both or only one sublattice of the graphene lattice.
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The cooperative behavior of quantum impurities on 2D materials, such as graphene and bilayer graphene, is characterized by a non-trivial competition between screening (Kondo effect), and Ruderman-Kittel-Kasuya-Yosida (RKKY) magnetism. In addition, due to the small density of states at the Fermi level, impurities may not couple to the conduction electrons at all, behaving as free moments. Employing a recently developed {em{exact}} numerical method to study multi-impurity lattice systems, we obtain non-perturbative results that dramatically depart from expectations based on the conventional RKKY theory. At half-filling and for weak coupling, impurities remain in the local moment regime when they are on opposite sublattices, up to a critical value of the interactions when they start coupling anti-ferromagnetically with correlations that decay very slowly with inter-impurity distance. At finite doping, away from half-filling, ferromagnetism is completely absent and the physics is dominated by a competition between anti-ferromagnetism and Kondo effect. In bilayer graphene, impurities on opposite layers behave as free moments, unless the interaction is of the order of the hopping or larger.
Motivated by recent experiments on ABC-stacked rhombohedral trilayer graphene (RTG) which observed spin-valley symmetry-breaking and superconductivity, we study instabilities of the RTG metallic state to symmetry breaking orders. We find that interactions select the inter-valley coherent order (IVC) as the preferred ordering channel over a wide range, whose theoretically determined phase boundaries agree well with experiments on both the hole and electron doped sides. The Fermi surfaces near van Hove singularities admit partial nesting between valleys, which promotes both inter-valley superconductivity and IVC fluctuations. We investigate the interplay between these fluctuations and the Hunds (intervalley spin) interaction using a renormalization group approach. For antiferromagnetic Hunds coupling, intervalley pairing appears in the spin-singlet channel with enhanced $T_c$, that scales with the dimensionless coupling $g$ as $T_csimexp(-1/sqrt{g})$ , compared to the standard $exp(-1/g)$ scaling. In its simplest form, this scenario assumes a sign change in the Hunds coupling on increasing hole doping. On the other hand, the calculation incorporates breaking of the independent spin rotations between valleys from the start, and strongly selects spin singlet over spin triplet pairing, and naturally occurs in proximity to the IVC, consistent with observations.
Electron-electron interactions are intrinsically long ranged, but many models of strongly interacting electrons only take short-ranged interactions into account. Here, we present results of atomistic calculations including both long-ranged and short-ranged electron-electron interactions for the magnetic phase diagram of twisted bilayer graphene and demonstrate that qualitatively different results are obtained when long-ranged interactions are neglected. In particular, we use Hartree theory augmented with Hubbard interactions and calculate the interacting spin susceptibility at a range of doping levels and twist angles near the magic angle to identify the dominant magnetic instabilities. At the magic angle, mostly anti-ferromagnetic order is found, while ferromagnetism dominates at other twist angles. Moreover, long-ranged interactions significantly increase the twist angle window in which strong correlation phenomena can be expected. These findings are in good agreement with available experimental data.
We study RKKY interactions for magnetic impurities on graphene in situations where the electronic spectrum is in the form of Landau levels. Two such situations are considered: non-uniformly strained graphene, and graphene in a real magnetic field. RKKY interactions are enhanced by the lowest Landau level, which is shown to form electron states binding with the spin impurities and add a strong non-perturbative contribution to pairwise impurity spin interactions when their separation $R$ no more than the magnetic length. Beyond this interactions are found to fall off as $1/R^3$ due to perturbative effects of the negative energy Landau levels. Based on these results, we develop simple mean-field theories for both systems, taking into account the fact that typically the density of states in the lowest Landau level is much smaller than the density of spin impurities. For the strain field case, we find that the system is formally ferrimagnetic, but with very small net moment due to the relatively low density of impurities binding electrons. The transition temperature is nevertheless enhanced by them. For real fields, the system forms a canted antiferromagnet if the field is not so strong as to pin the impurity spins along the field. The possibility that the system in this latter case supports a Kosterlitz-Thouless transition is discussed.
In the vicinity of the magic angle in twisted bilayer graphene (TBG), the two low-energy van Hove singularities (VHSs) become exceedingly narrow1-10 and many exotic correlated states, such as superconductivity, ferromagnetism, and topological phases, are observed11-16. Heterostrain, which is almost unavoidable in the TBG, can modify its single-particle band structure and lead to novel properties of the TBG that have never been considered so far. Here, we show that heterostrain in a TBG near the magic angle generates a new zero-energy flat band between the two VHSs. Doping the TBG to partially fill the zero-energy flat band, we observe a correlation-induced gap of about 10 meV that splits the flat band. By applying perpendicular magnetic fields, a large and linear response of the gap to magnetic fields is observed, attributing to the emergence of large orbital magnetic moments in the TBG when valley degeneracy of the flat band is lifted by electron-electron interactions. The orbital magnetic moment per moire supercell is measured as about 15 uB in the TBG.
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