Superconductivity in Te-deficient ZrTe
arXiv:2212.02358 · doi:10.1021/acs.jpcc.2c08836
Abstract
We present structural, electrical, and thermoelectric potential measurements on high-quality single crystals of ZrTe grown from isothermal chemical vapor transport. These measurements show that the Te-deficient ZrTe, which forms the same structure as the non-superconducting ZrTe, is superconducting below 3.2\,K. The temperature dependence of the upper critical field (H) deviates from the behavior expected in conventional single-band superconductors, being best described by an electron-phonon two-gap superconducting model with strong intraband coupling. For the ZrTe single crystals, the Seebeck potential measurements suggest that the charge carriers are predominantly negative, in agreement with the ab initio calculations. Through first-principles calculations within DFT, we show that the slight reduction of Te occupancy in ZrTe unexpectedly gives origin to density of states peaks at the Fermi level due to the formation of localized Zr- bands, possibly promoting electronic instabilities at the Fermi level and an increase at the critical temperature according to the standard BCS theory. These findings highlight that the Te deficiency promotes the electronic conditions for the stability of the superconducting ground state, suggesting that defects can fine-tune the electronic structure to support superconductivity.
References in corpus (33)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Advanced capabilities for materials modelling with Quantum ESPRESSO
- Optimized norm-conserving Vanderbilt pseudopotentials
- A Higher-Accuracy van der Waals Density Functional
- Computational 2D Materials Database: Electronic Structure of Transition-Metal Dichalcogenides and Oxides
- Superconductivity in Cu_xTiSe_2
- Enhancement of the upper critical field by nonmagnetic impurities in dirty two-gap superconductors
- Very High Field Two-Band Superconductivity in LaFeAsO_0.89F_0.11
- Van der Waals density functional: an appropriate exchange functional
- Anisotropic Migdal-Eliashberg theory using Wannier functions
- Ab-initio theory of superconductivity - I: Density functional formalism and approximate functionals
- Ab-initio theory of superconductivity - II: Applications to elemental metals
- Tuning Electronic and Magnetic Properties of Early Transition Metal Dichalcogenides via Tensile Strain
- Topological superconductivity in monolayer transition metal dichalcogenides
- Nontrivial Berry phase and type II Dirac transport in layered material PdTe2
- Ubiquitous formation of bulk Dirac cones and topological surface states from a single orbital manifold in transition-metal dichalcogenides
- Anisotropy of the Upper Critical Field and Critical Current in Single Crystal MgB
- Origin of superconductivity and latent charge density wave in NbS
- Effect of van Hove singularities on high-Tc superconductivity in H3S
- Improved tetrahedron method for the Brillouin-zone integration applicable to response functions
- Measuring Chern numbers above the Fermi level in the Type II Weyl semimetal MoWTe
- Pristine and intercalated transition metal dichalcogenide superconductors
- Multiband effects on beta-FeSe single crystals
- Pressure-induced suppression of charge density wave and emergence of Superconductivity in 1T-VSe2
- Strain-engineering the topological type-II Dirac semimetal NiTe
- Metal-chalcogen bond-length induced electronic phase transition from semiconductor to topological semimetal in ZrX (X = Se and Te)
- Properties and superconductivity in Ti-doped NiTe2 single crystals
- Unusual pressure-induced periodic lattice distortion in SnSe
- Semiconductor-metal phase transition and emergent charge density waves in 1T-ZrX (X = Se, Te) at the two-dimensional limit
- Evidence for multiband superconductivity and charge density waves in Ni-doped ZrTe
- Two-band superconductivity with unconventional pairing symmetry in HfVGa
- Growth of Pure and Intercalated ZrTe2, TiTe2 and HfTe2 Dichalcogenide Single Crystals by Isothermal Chemical Vapor Transport
- Possible multiband superconductivity in the quaternary carbide YRe2SiC