Lifshitz Transition and Nontrivial H-Doping Effect in Cr-based Superconductor KCr${}_3$As${}_3$H${}_x$

Abstract

We report the first-principles study on the H-intercalated Cr-based superconductor KCr${}_3$As${}_3$H${}_x$. Our results show a paramagnetic ground state for KCr${}_3$As${}_3$H. The electronic structure consists of two quasi-one-dimensional (Q1D) Fermi-surfaces and one 3D Fermi-surface which are mainly contributed by Cr-d${}_{z^2}$, d${}_{x^2-y^2}$ and d${}_{xy}$ orbitals. The bare electron susceptibility shows a $\Gamma$-centered imaginary peak, indicating possible ferromagnetic spin fluctuations. Upon moderate hole doping, the system undergoes a Lifshitz transition, which may enhance the Q1D feature of the system. The Bader charge analysis and electron localization functions reveal a strong bonding nature of hydrogen in KCr${}_3$As${}_3$H, which results in a nontrivial electron doping in KCr${}_3$As${}_3$H.

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Cited by in corpus (11)

• Quasi-one-dimensional system as a high-temperature superconductor
• Coexistence of nontrivial topological properties and strong ferromagnetic fluctuations in $A_2$Cr${}_3$As${}_3$ ($A$=Na, K, Rb and Cs)
• Suppression of fluctuations in a two-band superconductor with a quasi-1D band
• K2Mo3As3 is a Multi-Gap Electron-Phonon Superconductor
• Intra-chain collinear magnetism and inter-chain magnetic phases in Cr3As3-K-based materials
• Gapless spin-excitations in the superconducting state of a quasi-one-dimensional spin-triplet superconductor
• Tuning interchain ferromagnetic instability in A2Cr3As3 ternary arsenides by chemical pressure and uniaxial strain
• Robust Superconductivity in Quasi-One-Dimensional Multiband Materials
• Lifshitz transition enhanced triplet $p_z$-wave superconductivity in hydrogen doped KCr${}_3$As${}_3$
• A magnetic excitation linking quasi-1D Chevrel-type selenide and arsenide superconductors
• Hydrogen Doping Induced $p_x\pm i{p}_y$ Triplet Superconductivity in Quasi-One-Dimensional K${}_2$Cr${}_3$As${}_3$