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We study electronic instabilities of a kagome metal with a Fermi energy close to saddle points at the hexagonal Brillouin zone face centers. Using parquet renormalization group, we determine the leading and subleading instabilities, finding…
Materials hosting flat bands at the vicinity of the Fermi level promote exotic symmetry broken states. Common to many of these are van Hove singularities at saddle points of the dispersion or even higher-order van Hove singularities where…
The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite…
Comprehensive studies of the electronic states of Ir 5d and Te 5p have been performed to elucidate the origin of the structural phase transition in IrTe2 by combining angle-resolved photoemission spectroscopy and resonant inelastic X-ray…
The kagome lattice has garnered significant attention due to its ability to host quantum spin Fermi liquid states. Recently, the combination of unique lattice geometry, electron-electron correlations, and adjustable magnetism in solid…
The saddle point (van Hove singularity) exhibits a divergent density of states in 2D systems, leading to fascinating phenomena like strong correlations and unconventional superconductivity, yet it is seldom observed in 3D systems. In this…
Shandite with Ni$_{3}$Pb$_{2}$S$_{2}$ chemical formula and R$\bar{3}$m symmetry, contains the kagome sublattice formed by the transition metal atoms. Recent experimental results confirmed the possibility of successfully synthesizing…
The results of electronic structure calculations for a variety of palladium hydrides are presented. The calculations are based on density functional theory and used different local and semilocal approximations. The thermodynamic stability…
Long-range electronic order descending from a metallic parent state constitutes a rich playground to study the intricate interplay of structural and electronic degrees of freedom. With dispersive and correlation features as multifold as…
In the quest for topology- and correlation-driven quantum states, kagome lattice materials have garnered significant interest for their band structures, featuring flat bands (FBs) from the quantum destructive interference of the electronic…
Engineering new quantum phases requires fine tuning of the electronic, orbital, spin, and lattice degrees of freedom. To this end, the kagome lattice with flat bands has garnered great attention by hosting various topological and correlated…
The kagome metals $A$V$_3$Sb$_5$ ($A=$ K, Cs, Rb) have become a fascinating materials platform following the discovery of many novel quantum states due to the interplay between electronic correlation, topology, and geometry. Understanding…
Kagome materials with inherent geometric frustration can produce many interesting physical properties, such as flat bands, quantum spin liquid, chiral magnetism, superconductivity and density-wave orders. Sometimes, the localized 4$f$…
This work presents a detailed study of the electronic structure, phonon dispersion, Z2 invariant calculation, and Fermi surface of the newly discovered kagome superconductor CsV3Sb5, using density functional theory (DFT). The phonon…
Kagome metals with van Hove singularities near the Fermi level can host intriguing quantum phenomena such as chiral loop currents, electronic nematicity, and unconventional superconductivity. However, to our best knowledge, unconventional…
Magnetic kagome metals have garnered considerable attention as an ideal platform for investigating intrinsic topological structures, frustrated magnetism, and electron correlation effects. In this work, we present the synthesis and detailed…
Recent reports on a family of kagome metals of the form LnTi3Bi4 (Ln = Lanthanide) has stoked interest due to the combination of highly anisotropic magnetism and a rich electronic structure. The electronic structure near the Fermi level is…
The connectivity and inherent frustration of the kagome lattice can produce interesting electronic structures and behaviors in compounds containing this structural motif. Here we report the properties of Pt3X2 (X = In and Tl) that adopt a…
We present a density functional theory investigation of the pressure dependent structural, electronic, mechanical, thermophysical, vibrational, and optical properties of the intermetallic Kagome compound ZrRe2. The calculated ground-state…
Kagome metals are an intriguing class of quantum materials as the presence of both flat bands and Dirac points provides access to functional properties present in strongly correlated and topological materials. To fully harness these…