This review article is devoted to the interplay between frustrated magnetism and quantum critical phenomena, covering both theoretical concepts and ideas as well as recent experimental developments in correlated-electron materials. The first part deals with local-moment magnetism in Mott insulators and the second part with frustration in metallic systems. In both cases, frustration can either induce exotic phases accompanied by exotic quantum critical points or lead to conventional ordering with unconventional crossover phenomena. In addition, the competition of multiple phases inherent to frustrated systems can lead to multi-criticality.
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J Mol Graph Model
January 2025
Unit of Excellence in Computational Molecular Science and Catalysis, and Division of Chemistry, School of Science, University of Phayao, Phayao, 56000, Thailand. Electronic address:
Monomer insertion, leading to the formation of an activated monomer complex, is a critical step in cationic ring-opening polymerization (CROP) of cyclic monomers, such as ε-caprolactone (CL). In this study, Density Functional Theory (DFT) calculations were employed to investigate the structural and electronic properties of four activated complexes at two Zr:B ratios (1:2 and 1:1), where Zr is the cationic zirconocene catalyst, Cp₂ZrMe⁺, and B is the borate cocatalyst, [MeB(CF)] or [B(CF)]. Steric hindrance at the reactive site was analyzed using topographic steric maps, while inter- and intramolecular interactions of the complex systems were examined through the Quantum Theory of Atoms in Molecules (QTAIM) and non-covalent interaction (NCI) analyses.
View Article and Find Full Text PDFSci Adv
January 2025
Department of Physics, Princeton University, Princeton, NJ 08544, USA.
Introducing superconductivity in topological materials can lead to innovative electronic phases and device functionalities. Here, we present a unique strategy for quantum engineering of superconducting junctions in moiré materials through direct, on-chip, and fully encapsulated 2D crystal growth. We achieve robust and designable superconductivity in Pd-metalized twisted bilayer molybdenum ditelluride (MoTe) and observe anomalous superconducting effects in high-quality junctions across ~20 moiré cells.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Johns Hopkins University, Institute for Quantum Matter and Department of Physics and Astronomy, Baltimore, Maryland 21218, USA.
The tetragonal heavy-fermion superconductor CeRh_{2}As_{2} (T_{c}=0.3 K) exhibits an exceptionally high critical field of 14 T for B∥c. It undergoes a field-driven first-order phase transition between superconducting states, potentially transitioning from spin-singlet to spin-triplet superconductivity.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Quantinuum, 303 S. Technology Court, Broomfield, Colorado 80021, USA.
Although quantum mechanics underpins the microscopic behavior of all materials, its effects are often obscured at the macroscopic level by thermal fluctuations. A notable exception is a zero-temperature phase transition, where scaling laws emerge entirely due to quantum correlations over a diverging length scale. The accurate description of such transitions is challenging for classical simulation methods of quantum systems, and is a natural application space for quantum simulation.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Instituto de Ciencia de Materiales de Madrid, CSIC, E-28049 Madrid, Spain.
We address the precise determination of the phase diagram of magic angle twisted bilayer graphene under hydrostatic pressure within a self-consistent Hartree-Fock method in real space, including all the remote bands of the system. We further present a novel algorithm that maps the full real-space density matrix to a 4×4 density matrix based on a SU(4) symmetry of sublattice and valley degrees of freedom. We find a quantum critical point between a nematic and a Kekulé phase, and show also that our microscopic approach displays a strong particle-hole asymmetry in the weak coupling regime.
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