Bulk Fermi Surfaces of the Dirac Type-II Semimetallic Candidates 
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 (Where 
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, Nb, and Ta)

Chen, K.-W.; Lian, Xiujun; Lai, You; Aryal, Niraj; Chiu, Yu-Che; Lan, Wu; Graf, David; Manousakis, Efstratios; Baumbach, Ryan; Balicas, Luis

doi:10.1103/physrevlett.120.206401

Cited by 27 publications

(19 citation statements)

References 41 publications

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“…It turns out that one observes two spin-zeros for the βorbit of PdTe 2 which one should assign to n = 0 and I). These values point towards very large and anisotropic g-factors for the smaller cyclotron orbits of PdTe 2 and hence to a pronounced modulation in the sign of R S upon rotation as previously observed by us in the M Al 3 compounds [49]. Given that Pt is a 5d element one would expect an even larger spin-orbit coupling in PtTe 2 , although the quality of our data does not clearly expose its spin-zeros.…”

Section: Pdte2 H Csupporting

confidence: 67%

“…Notice that the small islands in (a) have an area of ≈ 20 T. These islands appear for kz values in the close vicinity of the k DP quantum oscillation experiments in the case of systems which possess both time-reversal-symmetry and inversion symmetry is plagued by the issues discussed in Ref. 49. As has been previously discussed, there is a type-II Dirac point (DP) which is shown in Fig.…”

Section: Dirac Point and Berry Phase In Pdte2mentioning

confidence: 70%

“…Although the calculations indicate that the Dirac cone does intersect ε F in the case of PdTe 2 , the associated orbit or Fermi surface cross-sectional area detected by quantum oscillations would be located on a different k z plane with respect to the plane of the Dirac type-II node. This small displacement is enough to lead to a Berry phase φ B < π/2 associated with topologically trivial [49] electronic orbits in PdTe 2 . This is consistent with several recent reports claiming conventional superconductivity for PdTe 2 .…”

Section: Discussionmentioning

confidence: 98%

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Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt)

et al. 2018

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We present a detailed quantum oscillatory study on the Dirac type-II semimetallic candidates PdTe2 and PtTe2 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 PtTe2 at a temperature T = 1.3 K, leads to an increase in the resistivity up to 5 × 10 4 % under a magnetic field µ0H = 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 PdTe2 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 PtTe2 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 PdTe2 and probably also for PtTe2. Band structure calculations indicate that the topologically non-trivial bands of PtTe2 do not cross the Fermi-level (εF). In contrast, for PdTe2 the Dirac type-II cone does intersect εF , although our calculations also indicate that the associated cyclotron orbit on the Fermi surface is located in a distinct kz plane with respect to the one of the Dirac type-II node. Therefore it should yield a trivial Berry-phase.

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Section: Pdte2 H Csupporting

confidence: 67%

Section: Dirac Point and Berry Phase In Pdte2mentioning

confidence: 70%

Section: Discussionmentioning

confidence: 98%

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Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt)

et al. 2018

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“…On the other hand, if we adopt a moderate value of U=3 eV, it can account for most of the Quantum Oscillation frequencies (including the hole orbit along the a-axis) and at the same time can explain the ARPES experiments including the polarization dependence of the intensity. The large hole orbit of size greater than 1000 T not seen in QO experiments along the c-axis can not be accounted with this value of U; however, it is not unusual in a QO experiment to miss an orbit along a certain direction, especially when the mass of the carrier is very anisotropic [26,27]. The fact, however, that γ-MoTe 2 is near the Lifshitz transition, which in practical terms means just 25 meV (we find that this corresponds to less than ∼ 2 % per chemical formula electron doping) away from the transition, it is expected to have a significant effect in transport phenomena.…”

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confidence: 99%

Importance of electron correlations in understanding photoelectron spectroscopy and Weyl character of MoTe2

Aryal

Manousakis

2019

Phys. Rev. B

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We study the role of electron correlations in the presumed type II Weyl semimetallic candidate γ-MoTe2 by employing density functional theory (DFT) where the on-site Coulomb repulsion (Hubbard U) for the Mo 4d states is included within the DFT+U scheme. We show that pure DFT calculations fail to describe important features of the light-polarization dependence of the angular resolved photoemission intensity which can be accounted for by including the role of the Hubbard U. At the same time while pure DFT calculations cannot explain the angular dependence of the Fermi surface as revealed by quantum oscillation experiments (a fact which had raised doubt about the presence of the Weyl physics in γ-MoTe2) inclusion of such on-site Coulomb repulsion can. We find that while the number of Weyl points (WPs) and their position in the Brillouin Zone change as a function of U, a pair of such WPs very close to the Fermi level survive the inclusion of these important corrections. Our calculations suggest that the Fermi surface of γ-MoTe2 is in the vicinity of a correlations-induced Lifshitz transition which can be probed experimentally and its interplay with the Weyl physics might be intriguing.Transition metal dichalcogenides (TMDs) have continued to surprise physicists and chemists for decades by providing an avalanche of materials with intriguing chemical, mechanical, electronic and optical properties, of both fundamental and technological implications [1][2][3]. Among several other properties of fundamental importance in physics, more recently, DFT calculations [4][5][6] predict that the lesser known inversion-symmetrybreaking TMDs γ−WTe 2 and γ−MoTe 2 host Lorentz invariance violating type-II Weyl Fermions.In a similar fashion to their type-I counterparts (namely, (Ta,Nb)(As,P)), these materials are predicted to host Weyl nodes (WN) at the boundaries of the electron and hole pockets as well as topological Fermi arcs which connect Weyl nodes of opposite chiralities [7][8][9][10]. Different anomalies in the transport experiments, such as extremely high carrier mobility [11,12], and chiral anomaly induced negative longitudinal magnetoresistance[13] are considered indirect evidence of Weyl Fermions.Angular resolved photoemission spectroscopy (ARPES) is undoubtedly a direct and widely accepted probe of the above mentioned features of the electronic structure and it has successfully identified type-I Weyl candidates by directly imaging the WNs and Fermi arc states [7,8]. However, in materials which are candidates for realizing type-II Weyl Fermions, ARPES experiments are not as convincing and unambiguous as in the type-I case because of the coexistence of the bulk electron and hole pockets with surface arc-states and the presence of both trivial and non-trivial Fermi arcs [14,15]. Nevertheless, in the candidate material γ-MoTe 2 several ARPES studies have claimed to observe Weyl points (WPs) and non-trivial Fermi arcs in agreement with the DFT calculations [16][17][18][19]. On the other hand, the predicted electron and hole poc...

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“…Previous studies on their band structure and molecular orbitals have clarified that this crystal structure is stabilized by a ”magic number” of 14 electrons per transition metal when a pseudogap occurs in the density of states (DOS) ( 7 – 11 ). Recent theoretical work demonstrated that there exist a pair of tilted-over Dirac cones in the pseudogap in the energy-momentum space slightly above the Fermi level (

) of

( 12 , 13 ). The tilted-over Dirac cones host type-II Lorentz-symmetry-breaking Dirac fermions ( 14 , 15 ), which can give rise to many exotic physical properties, such as direction-dependent chiral anomaly and Klein tunneling in momentum space ( 16 , 17 ).…”

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confidence: 99%

Bond-breaking induced Lifshitz transition in robust Dirac semimetal VAI ₃

Liu

Gui

et al. 2020

Proc. Natl. Acad. Sci. U.S.A.

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Topological electrons in semimetals are usually vulnerable to chemical doping and environment change, which restricts their potential application in future electronic devices. In this paper, we report that the type-II Dirac semimetalVAl3hosts exceptional, robust topological electrons which can tolerate extreme change of chemical composition. The Dirac electrons remain intact, even after a substantial part of V atoms have been replaced in theV1−xTixAl3solid solutions. This Dirac semimetal state ends atx=0.35, where a Lifshitz transition to p-type trivial metal occurs. The V–Al bond is completely broken in this transition as long as the bonding orbitals are fully depopulated by the holes donated from Ti substitution. In other words, the Dirac electrons inVAl3are protected by the V–Al bond, whose molecular orbital is their bonding gravity center. Our understanding on the interrelations among electron count, chemical bond, and electronic properties in topological semimetals suggests a rational approach to search robust, chemical-bond-protected topological materials.

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Bulk Fermi Surfaces of the Dirac Type-II Semimetallic Candidates MAl3 (Where M=V , Nb, and Ta)

Cited by 27 publications

References 41 publications

Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt)

Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt)

Importance of electron correlations in understanding photoelectron spectroscopy and Weyl character of MoTe2

Bond-breaking induced Lifshitz transition in robust Dirac semimetal VAI ₃

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Bulk Fermi Surfaces of the Dirac Type-II Semimetallic Candidates MAl3 (Where M=V , Nb, and Ta)

Cited by 27 publications

References 41 publications

Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt)

Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt)

Importance of electron correlations in understanding photoelectron spectroscopy and Weyl character of MoTe2

Bond-breaking induced Lifshitz transition in robust Dirac semimetal VAI 3

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Bond-breaking induced Lifshitz transition in robust Dirac semimetal VAI ₃