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Metallization of 1T-TaS_{2} is generally initiated at the domain boundary of a charge density wave (CDW), at the expense of its long-range order. However, we demonstrate in this study that the metallization of 1T-TaS_{2} can be also realized without breaking the long-range CDW order upon surface alkali doping. By using scanning tunneling microscopy, we find the long-range CDW order is always persisting, and the metallization is instead associated with additional in-gap excitations. Interestingly, the in-gap excitation is near the top of the lower Hubbard band, in contrast to a conventional electron-doped Mott insulator where it is beneath the upper Hubbard band. In combination with the numerical calculations, we suggest that the appearance of the in-gap excitations near the lower Hubbard band is mainly due to the effectively reduced on-site Coulomb energy by the adsorbed alkali ions.
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http://dx.doi.org/10.1103/PhysRevLett.123.206405 | DOI Listing |
J Phys Condens Matter
September 2025
Faculty of Energy Science, Kim Il Sung University, Taesong District, Pyongyang, Democratic People's Republic of Korea.
We use the truncated-unity functional renormalization group (TUFRG) to study many-body instabilities of correlated electrons in graphene doped near the van Hove singularity (VHS). The system is described by an extended Hubbard model including several Coulomb repulsions between neighboring sites. With the repulsion parameters, which turn out to be suitable for low-energy consideration of graphene, we find a spin-bond-order phase in the vicinity of the VHS.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
August 2025
Department of Physics, Harvard University, Cambridge, MA 02138.
We argue that the combination of strong repulsive interactions and high magnetic fields can generate electron pairing and superconductivity. Inspired by the large lattice constants of moiré materials, which make large flux per unit cell accessible at laboratory fields, we study the triangular lattice Hofstadter-Hubbard model at one-quarter flux quantum per plaquette, where previous literature has argued that a chiral spin liquid separates a weak-coupling integer quantum Hall phase and a strong-coupling topologically trivial antiferromagnetic insulator at a density of one electron per site. We argue that topological superconductivity emerges upon doping in the vicinity of the integer quantum Hall to chiral spin liquid transition.
View Article and Find Full Text PDFJ Chem Theory Comput
August 2025
Center for Molecular Modeling, Ghent University, Technologiepark 46, 9052 Zwijnaarde, Belgium.
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the constrained random phase approximation to construct an effective multiband Hubbard model, which is subsequently solved using tensor networks. Our work focuses on one-dimensional and quasi-one-dimensional materials, for which we employ the machinery of matrix product states.
View Article and Find Full Text PDFJ Mol Model
August 2025
Key Laboratory of Advanced Manufacturing and Automation Technology (Guilin University of Technology), Education Department of Guangxi Zhuang Autonomous Region, Guilin, 541006, China.
Content: This study investigates the electronic structure and optical properties of Sn-C co-doped β-GaO at different concentrations using the generalized gradient approximation (GGA + U) method within density functional theory (DFT). The results show that, compared to intrinsic β-GaO, all doped systems induce lattice distortion. Among them, the Sn-C system exhibits higher stability in both oxygen-rich and gallium-rich environments.
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