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Bulk Fermi surfaces of the Dirac type-II semimetallic candidate NiTe2

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 Added by Wenkai Zheng
 Publication date 2020
  fields Physics
and research's language is English




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Here, we present a study on the Fermi-surface of the Dirac type-II semi-metallic candidate NiTe$_2$ via the temperature and angular dependence of the de Haas-van Alphen (dHvA) effect measured in single-crystals grown through Te flux. In contrast to its isostructural compounds like PtSe$_2$, band structure calculations predict NiTe$_2$ to display a tilted Dirac node very close to its Fermi level that is located along the $Gamma$ to A high symmetry direction within its first Brillouin zone (FBZ). The angular dependence of the dHvA frequencies is found to be in agreement with the first-principle calculations when the electronic bands are slightly shifted with respect to the Fermi level ($varepsilon_F$), and therefore provide support for the existence of a Dirac type-II node in NiTe$_2$. Nevertheless, we observed mild disagreements between experimental observations and density Functional theory calculations as, for example, nearly isotropic and light experimental effective masses. This indicates that the dispersion of the bands is not well captured by DFT. Despite the coexistence of Dirac-like fermions with topologically trivial carriers, samples of the highest quality display an anomalous and large, either linear or sub-linear magnetoresistivity. This suggests that Lorentz invariance breaking Dirac-like quasiparticles dominate the carrier transport in this compound.



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90 - K. -W. Chen , X. Lian , Y. Lai 2018
We report a de Haas-van Alphen (dHvA) effect study on the Dirac type-II semimetallic candidates emph{M}Al$_3$ (where, emph{M} = V, Nb and Ta). The angular-dependence of their Fermi surface (FS) cross-sectional areas reveals a remarkably good agreement with first-principle calculations. Therefore, dHvA supports the existence of tilted Dirac cones with Dirac type-II nodes located at 100, 230 and 250 meV above the Fermi level $varepsilon_F$ for VAl$_3$, NbAl$_3$ and TaAl$_3$ respectively, in agreement with the prediction of broken Lorentz invariance in these compounds. However, for all three compounds we find that the cyclotron orbits on their FSs, including an orbit nearly enclosing the Dirac type-II node, yield trivial Berry phases. We explain this $via$ an analysis of the Berry phase where the position of this orbit, relative to the Dirac node, is adjusted within the error implied by the small disagreement between our calculations and the experiments. We suggest that a very small amount of doping could displace $varepsilon_F$ to produce topologically non-trivial orbits encircling their Dirac node(s).
Transition-metal dichalcogenides (TMDs) offer an ideal platform to experimentally realize Dirac fermions. However, typically these exotic quasiparticles are located far away from the Fermi level, limiting the contribution of Dirac-like carriers to the transport properties. Here we show that NiTe2 hosts both bulk Type-II Dirac points and topological surface states. The underlying mechanism is shared with other TMDs and based on the generic topological character of the Te p-orbital manifold. However, unique to NiTe2, a significant contribution of Ni d orbital states shifts the energy of the Type-II Dirac point close to the Fermi level. In addition, one of the topological surface states intersects the Fermi energy and exhibits a remarkably large spin splitting of 120 meV. Our results establish NiTe2 as an exciting candidate for next-generation spintronics devices.
Recently, a new group of layered transition-metal tetra-chalcogenides were proposed, via first principles calculations, to correspond to a new family of Weyl type-II semimetals with promising topological properties in the bulk as well as in the monolayer limit. In this article, we present measurements of the Shubnikov-de Haas (SdH) and de Haas-van Alphen effects under high magnetic fields for the type-II Weyl semimetallic candidate NbIrTe$_{4}$. We find that the angular dependence of the observed Fermi surface extremal cross-sectional areas agree well with our DFT calculations supporting the existence of Weyl type-II points in this material. Although we observe a large and non-saturating magnetoresistivity in NbIrTe$_{4}$ under fields all the way up to 35 T, Hall-effect measurements indicate that NbIrTe$_{4}$ is not a compensated semimetal. The transverse magnetoresistivity displays a four-fold angular dependence akin to the so-called butterfly magnetoresistivity observed in nodal line semimetals. However, we conclude that its field and this unconventional angular-dependence are governed by the topography of the Fermi-surface and the resulting anisotropy in effective masses and in carrier mobilities.
We present a detailed quantum oscillatory study on the Dirac type-II semimetallic candidates PdTe$_{2}$ and PtTe$_{2}$ emph{via} the temperature and the angular dependence of the de Haas-van Alphen (dHvA) and Shubnikov-de Haas (SdH) effects. In high quality single crystals of both compounds, i.e. displaying carrier mobilities between $10^3$ and $10^4$ cm$^2$/Vs, we observed a large non-saturating magnetoresistivity (MR) which in PtTe$_2$ at a temperature $T = 1.3$ K, leads to an increase in the resistivity up to $5 times 10^{4}$ % under a magnetic field $mu_0 H = 62$ T. These high mobilities correlate with their light effective masses in the range of 0.04 to 1 bare electron mass according to our measurements. For PdTe$_{2}$ the experimentally determined Fermi surface cross-sectional areas show an excellent agreement with those resulting from band-structure calculations. Surprisingly, this is not the case for PtTe$_{2}$ whose agreement between calculations and experiments is relatively poor even when electronic correlations are included in the calculations. Therefore, our study provides a strong support for the existence of a Dirac type-II node in PdTe$_2$ and probably also for PtTe$_2$. Band structure calculations indicate that the topologically non-trivial bands of PtTe$_2$ do not cross the Fermi-level ($varepsilon_F$). In contrast, for PdTe$_2$ the Dirac type-II cone does intersect $varepsilon_F$, although our calculations also indicate that the associated cyclotron orbit on the Fermi surface is located in a distinct $k_z$ plane with respect to the one of the Dirac type-II node. Therefore it should yield a trivial Berry-phase.
The electronic structure of WTe$_2$ and orthorhombic $gamma-$MoTe$_2$, are claimed to contain pairs of Weyl type-II points. A series of ARPES experiments claim a broad agreement with these predictions. We synthesized single-crystals of MoTe$_2$ through a Te flux method to validate these predictions through measurements of its bulk Fermi surface (FS) emph{via} quantum oscillatory phenomena. We find that the superconducting transition temperature of $gamma-$MoTe$_2$ depends on disorder as quantified by the ratio between the room- and low-temperature resistivities, suggesting the possibility of an unconventional superconducting pairing symmetry. Similarly to WTe$_2$, the magnetoresistivity of $gamma-$MoTe$_2$ does not saturate at high magnetic fields and can easily surpass $10^{6}$ %. Remarkably, the analysis of the de Haas-van Alphen (dHvA) signal superimposed onto the magnetic torque, indicates that the geometry of its FS is markedly distinct from the calculated one. The dHvA signal also reveals that the FS is affected by the Zeeman-effect precluding the extraction of the Berry-phase. A direct comparison between the previous ARPES studies and density-functional-theory (DFT) calculations reveals a disagreement in the position of the valence bands relative to the Fermi level $varepsilon_F$. Here, we show that a shift of the DFT valence bands relative to $varepsilon_F$, in order to match the ARPES observations, and of the DFT electron bands to explain some of the observed dHvA frequencies, leads to a good agreement between the calculations and the angular dependence of the FS cross-sectional areas observed experimentally. However, this relative displacement between electron- and hole-bands eliminates their crossings and, therefore, the Weyl type-II points predicted for $gamma-$MoTe$_2$.
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