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Title: Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates X Te 2 ( X =Pd, Pt)

Abstract

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 and Shubnikov–de Haas effects. In high-quality single crystals of both compounds, i.e., displaying carrier mobilities between 103 and 104 cm2/Vs, we observed a large nonsaturating magnetoresistivity which in PtTe2 at a temperature T = 1.3 K leads to an increase in the resistivity up to (5 × 104)% 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 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 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 nontrivial bands of PtTe2 do not cross the Fermi level εF. In contrast, for PdTe2 the Dirac type-II cone doesmore » 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 that of the Dirac type-II node. Furthermore, it should yield a trivial Berry phase.« less

Authors:
 [1];  [1];  [1];  [1];  [2];  [1];  [1];  [3];  [3];  [4];  [4];  [4];  [1];  [1]
  1. Florida State Univ., Tallahassee, FL (United States)
  2. Florida State Univ., Tallahassee, FL (United States); Columbia Univ., New York, NY (United States)
  3. Dresden High Magnetic Field Lab. (HLD-EMFL) (Germany)
  4. Univ. of Texas at Dallas, Richardson, TX (United States)
Publication Date:
Research Org.:
Florida State Univ., Tallahassee, FL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)
OSTI Identifier:
1594226
Alternate Identifier(s):
OSTI ID: 1457813
Grant/Contract Number:  
SC0002613; DMR-1700030; NSF/DMR-1644779
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 97; Journal Issue: 23; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; First-principles calculations; Superconductivity; Topological materials; de Haas-van Alphen effect; Shubnikov-de Haas effect

Citation Formats

Zheng, W., Schönemann, R., Aryal, N., Zhou, Q., Rhodes, D., Chiu, Y. -C., Chen, K. -W., Kampert, E., Förster, T., Martin, T. J., McCandless, G. T., Chan, J. Y., Manousakis, E., and Balicas, L. Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt). United States: N. p., 2018. Web. doi:10.1103/PhysRevB.97.235154.
Zheng, W., Schönemann, R., Aryal, N., Zhou, Q., Rhodes, D., Chiu, Y. -C., Chen, K. -W., Kampert, E., Förster, T., Martin, T. J., McCandless, G. T., Chan, J. Y., Manousakis, E., & Balicas, L. Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt). United States. doi:10.1103/PhysRevB.97.235154.
Zheng, W., Schönemann, R., Aryal, N., Zhou, Q., Rhodes, D., Chiu, Y. -C., Chen, K. -W., Kampert, E., Förster, T., Martin, T. J., McCandless, G. T., Chan, J. Y., Manousakis, E., and Balicas, L. Fri . "Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt)". United States. doi:10.1103/PhysRevB.97.235154. https://www.osti.gov/servlets/purl/1594226.
@article{osti_1594226,
title = {Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt)},
author = {Zheng, W. and Schönemann, R. and Aryal, N. and Zhou, Q. and Rhodes, D. and Chiu, Y. -C. and Chen, K. -W. and Kampert, E. and Förster, T. and Martin, T. J. and McCandless, G. T. and Chan, J. Y. and Manousakis, E. and Balicas, L.},
abstractNote = {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 and Shubnikov–de Haas effects. In high-quality single crystals of both compounds, i.e., displaying carrier mobilities between 103 and 104 cm2/Vs, we observed a large nonsaturating magnetoresistivity which in PtTe2 at a temperature T = 1.3 K leads to an increase in the resistivity up to (5 × 104)% 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 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 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 nontrivial 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 that of the Dirac type-II node. Furthermore, it should yield a trivial Berry phase.},
doi = {10.1103/PhysRevB.97.235154},
journal = {Physical Review B},
number = 23,
volume = 97,
place = {United States},
year = {2018},
month = {6}
}

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Works referenced in this record:

Extremely high magnetoresistance and conductivity in the type-II Weyl semimetals WP2 and MoP2
journal, November 2017


Redetermined Crystal Structures of NiTe2, PdTe2, PtS2, PtSe2, and PtTe2.
journal, January 1965


The de Haas-van Alphen effect in PdTe2
journal, April 1975

  • Dunsworth, A. E.
  • Journal of Low Temperature Physics, Vol. 19, Issue 1-2
  • DOI: 10.1007/BF00115529

Fermi surface of the Weyl type-II metallic candidate WP 2
journal, September 2017


Observation of the Chiral-Anomaly-Induced Negative Magnetoresistance in 3D Weyl Semimetal TaAs
journal, August 2015


Experimental evidence for type-II Dirac semimetal in PtSe 2
journal, September 2017


Robust Type-II Weyl Semimetal Phase in Transition Metal Diphosphides X P 2 ( X = Mo , W)
journal, August 2016


Hall effect in the extremely large magnetoresistance semimetal WTe 2
journal, November 2015

  • Luo, Yongkang; Li, H.; Dai, Y. M.
  • Applied Physics Letters, Vol. 107, Issue 18
  • DOI: 10.1063/1.4935240

Type-II Weyl semimetals
journal, November 2015

  • Soluyanov, Alexey A.; Gresch, Dominik; Wang, Zhijun
  • Nature, Vol. 527, Issue 7579
  • DOI: 10.1038/nature15768

Large, non-saturating magnetoresistance in WTe2
journal, September 2014

  • Ali, Mazhar N.; Xiong, Jun; Flynn, Steven
  • Nature, Vol. 514, Issue 7521
  • DOI: 10.1038/nature13763

Fermiology and Superconductivity of Topological Surface States in PdTe 2
journal, April 2018


Relativistic bandstructure and Fermi surface of PdTe 2 by the LMTO method
journal, September 1977


Three-dimensional Dirac semimetal and quantum transport in Cd 3 As 2
journal, September 2013


Conventional superconductivity in the type-II Dirac semimetal PdTe 2
journal, January 2018


Hall effect within the colossal magnetoresistive semimetallic state of MoTe 2
journal, September 2016


De Hass-van Alphen and magnetoresistance reveal predominantly single-band transport behavior in PdTe2
journal, August 2016

  • Wang, Yongjian; Zhang, Jinglei; Zhu, Wenka
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep31554

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Composition-induced structural instability and strong-coupling superconductivity in Au 1 x Pd x Te 2
journal, April 2016


Numerical extraction of de Haas–van Alphen frequencies from calculated band energies
journal, February 2012


Nontrivial Berry phase and type-II Dirac transport in the layered material PdT e 2
journal, July 2017


Evidence of Topological Nodal-Line Fermions in ZrSiSe and ZrSiTe
journal, June 2016


Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface
journal, May 2009

  • Zhang, Haijun; Liu, Chao-Xing; Qi, Xiao-Liang
  • Nature Physics, Vol. 5, Issue 6, p. 438-442
  • DOI: 10.1038/nphys1270

Experimental Realization of Type-II Dirac Fermions in a PdTe 2 Superconductor
journal, July 2017


Dirac Semimetal in Three Dimensions
journal, April 2012


Discovery of a Weyl fermion semimetal and topological Fermi arcs
journal, July 2015


Weyl Semimetal Phase in Noncentrosymmetric Transition-Metal Monophosphides
journal, March 2015


Topological Insulator Materials
journal, October 2013

  • Ando, Yoichi
  • Journal of the Physical Society of Japan, Vol. 82, Issue 10, Article No. 102001
  • DOI: 10.7566/JPSJ.82.102001

Layer structure superconductor
journal, August 1963


Lorentz-violating type-II Dirac fermions in transition metal dichalcogenide PtTe2
journal, August 2017


Optimized norm-conserving Vanderbilt pseudopotentials
journal, August 2013


Identification of Topological Surface State in PdTe 2 Superconductor by Angle-Resolved Photoemission Spectroscopy
journal, June 2015


Role of spin-orbit coupling and evolution of the electronic structure of WTe 2 under an external magnetic field
journal, September 2015


Experimental Discovery of Weyl Semimetal TaAs
journal, July 2015


Bulk Fermi surface of the Weyl type-II semimetallic candidate γ MoTe 2
journal, October 2017


XCrySDen—a new program for displaying crystalline structures and electron densities
journal, June 1999


Type-II Dirac fermions in the PtSe 2 class of transition metal dichalcogenides
journal, September 2016


Quasi-two-dimensional Dirac fermions and quantum magnetoresistance in LaAgBi 2
journal, June 2013


Heat capacity evidence for conventional superconductivity in the type-II Dirac semimetal PdTe 2
journal, February 2018


Type-I superconductivity in the Dirac semimetal PdTe 2
journal, December 2017


Manipulation of type-I and type-II Dirac points in PdTe 2 superconductor by external pressure
journal, August 2017


Bulk Fermi Surfaces of the Dirac Type-II Semimetallic Candidates M Al 3 (Where M = V , Nb, and Ta)
journal, May 2018


Extremely Large Magnetoresistance in a Topological Semimetal Candidate Pyrite PtBi 2
journal, June 2017


PtTe2: Potential new material for the growth of defect-free TeO2 single crystals
journal, June 2008


Two-dimensional gas of massless Dirac fermions in graphene
journal, November 2005

  • Novoselov, K. S.; Geim, A. K.; Morozov, S. V.
  • Nature, Vol. 438, Issue 7065, p. 197-200
  • DOI: 10.1038/nature04233

Ubiquitous formation of bulk Dirac cones and topological surface states from a single orbital manifold in transition-metal dichalcogenides
journal, November 2017

  • Bahramy, M. S.; Clark, O. J.; Yang, B. -J.
  • Nature Materials, Vol. 17, Issue 1
  • DOI: 10.1038/nmat5031

Electronic structure calculations of solids using the WIEN2k package for material sciences
journal, August 2002