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In this work we explore the phase diagram of the binary Nb-S system from ambient pressures up to 250 GPa using $ab$ $initio$ evolutionary crystal structure prediction. We find several new stable compositions and phases, especially in the…

Materials Science · Physics 2021-01-13 Roman Lucrezi , Christoph Heil

We propose a scenario for superconductivity at strong electron-electron attractive interaction, in the case when the increase of the interaction strength promotes the nucleation of the local Cooper pairs and forms a state with a spatially…

Superconductivity · Physics 2025-08-27 A. A. Zyuzin , A. Yu. Zyuzin

The nature of the coupling leading to superconductivity in layered materials such as high-Tc superconductors and graphite intercalation compounds (GICs) is still unresolved. In both systems, interactions of electrons with either phonons or…

Strongly Correlated Electrons · Physics 2007-05-24 Jessica L. McChesney , Aaron Bostwick , Taisuke Ohta , Konstantin V. Emtsev , Thomas Seyller , Karsten Horn , Eli Rotenberg

Kagome metals offer a unique platform for investigating robust electron-correlation effects because of their lattice geometry, flat bands and multi-orbital nature. In the cases with active flat bands, recent theoretical studies have pointed…

Strongly Correlated Electrons · Physics 2025-06-18 Fang Xie , Yuan Fang , Ying Li , Yuefei Huang , Lei Chen , Chandan Setty , Shouvik Sur , Boris Yakobson , Roser Valentí , Qimiao Si

Kagome lattice $A$V$_3$Sb$_5$ ($A$ = K, Rb, and Cs) superconductors without magnetism from vanadium $d$-electrons are intriguing because they have a novel charge density wave (CDW) order around 90 K and display superconductivity at $\sim$3…

The interplay between superconductivity and charge correlations in the kagome metal CsV$_3$Sb$_5$ can be tuned by external perturbations such as doping or pressure. Here we present a study of charge correlations and superconductivity upon…

In kagome metals, flat electronic bands induced by frustrated hopping are a platform for strong electron correlations. In particular, a selective coupling of flat band states to certain kagome phonon modes is proposed as a universal origin…

Kagome superconductors AV$_3$Sb$_5$ (A=K, Rb, Cs) have sparked considerable interest due to the presence of several intertwined symmetry-breaking phases within a single material. Interestingly, in a recent experiment, magnetic hysteresis…

Superconductivity · Physics 2026-04-17 Xilin Feng , Zi-Ting Sun , Ben-Chuan Lin , K. T. Law

Ever since BCS theory was first formulated it was recognized that a large electronic density of states at the Fermi level was beneficial to enhancing $T_c$. The A15 compounds and the high temperature cuprate materials both have had an…

Superconductivity · Physics 2016-12-07 Thiago X. R. Souza , F. Marsiglio

Shifting the Fermi level of the celebrated $AM_3X_5$ (135) compounds into proximity of flat bands strongly enhances electronic correlations and severely affects the formation of density waves and superconductivity. Our broadband infrared…

Strongly Correlated Electrons · Physics 2025-07-24 M. Wenzel , E. Uykur , A. A. Tsirlin , A. N Capa Salinas , B. R. Ortiz , S. D. Wilson , M. Dressel

In a metal with multiple Fermi pockets, the formation of s-wave superconductivity can be conventional due to electron-phonon coupling or unconventional due to spin fluctuations. We analyze the hexagonal diboride CrB$_2$, which is an…

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…

Materials Science · Physics 2024-11-14 Hengxin Tan , Yiyang Jiang , Gregory T. McCandless , Julia Y. Chan , Binghai Yan

We investigates the electronic structure and superconducting gaps in the charge density wave (CDW) states of vanadium-based Kagome superconductors AV$_3$Sb$_5$, focusing on the concurrent presence of CDW and superconducting orders. Two…

Superconductivity · Physics 2024-10-03 Xin Lin , Junkang Huang , Tao Zhou

Motivated by the evidence for time-reversal symmetry (TRS) breaking in nonmagnetic kagome metals AV3Sb5, a novel electronic order of persistent orbital loop-current (LC) has been proposed for the observed charge density wave (CDW) state.…

Strongly Correlated Electrons · Physics 2025-06-18 Zhan Wang , Keyu Zeng , Ziqiang Wang

Kagome metals AV3Sb5 (A = K, Rb, and Cs) exhibit a unique superconducting ground state coexisting with charge-density wave (CDW), whereas how these characteristics are affected by carrier doping remains unexplored because of the lack of an…

Superconductivity · Physics 2022-05-11 Kosuke Nakayama , Yongkai Li , Takemi Kato , Min Liu , Zhiwei Wang , Takashi Takahashi , Yugui Yao , Takafumi Sato

While correlated phenomena of flat bands have been extensively studied in twisted systems, the ordered states that emerge from interactions in the intrinsic flat bands of kagome lattice materials remain largely unexplored. The newly…

Kagome metals AV3Sb5 (A = K, Rb, and Cs) exhibit superconductivity at 0.9-2.5 K and charge-density wave (CDW) at 78-103 K. Key electronic states associated with the CDW and superconductivity remain elusive. Here, we investigate low-energy…

Superconductivity · Physics 2021-11-03 Kosuke Nakayama , Yongkai Li , Takemi Kato , Min Liu , Zhiwei Wang , Takashi Takahashi , Yugui Yao , Takafumi Sato

CaBi$_2$ is a recently discovered type-I superconductor with $T_c=2$~K and a layered crystal structure. In this work electronic structure, lattice dynamics and electron-phonon interaction are studied, with a special attention paid to the…

Superconductivity · Physics 2019-04-02 Sylwia Gołąb , Bartłomiej Wiendlocha

Motivated by the recent resurgence of interest in topological superconductivity, we study in this paper superconducting pairing instabilities of the hole-doped Rashba-Hubbard model on the square lattice with first- and second-neighbor…

Superconductivity · Physics 2018-05-01 Andrés Greco , Andreas P. Schnyder

In kagome metals AV3Sb5 (A = K, Rb, Cs), three-dimensional charge order (3D-CO) is the primary instability that sets the stage for other collective orders to emerge, including unidirectional stripe order, orbital flux order, electronic…