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Title: Local corrugation and persistent charge density wave in ZrTe 3 with Ni intercalation

Abstract

Here, the mechanism of emergent bulk superconductivity in transition-metal intercalated ZrTe3 is investigated by studying the effect of Ni doping on the band structure and charge density wave (CDW). The study reports theoretical and experimental results in the range of Ni0.01ZrTe3 to Ni0.05ZrTe3. In the highest doped samples, bulk superconductivity with Tc < TCDW is observed, with a reduced TCDW compared with pure ZrTe3. Relativistic ab initio calculations reveal that Ni incorporation occurs preferentially through intercalation in the van der Waals gap. Analysis of the structural and electronic effects of intercalation indicate buckling of the Te sheets adjacent to the Ni site akin to a locally stabilized CDW-like lattice distortion. In contrast to the changes of TCDW observed in resistivity, experiments with low-temperature x-ray diffraction, angle-resolved-photoemission spectroscopy, as well as temperature-dependent resistivity reveal the nearly unchanged persistence of the CDW into the regime of bulk superconductivity. The CDW gap is found to be unchanged in its extent in momentum space, with the gap size also unchanged or possibly slightly reduced upon Ni intercalation. Both experimental observations suggest that superconductivity coexists with the CDW in NixZrTe3.

Authors:
 [1];  [2];  [3];  [3];  [3];  [4];  [5]; ORCiD logo [6];  [1];  [7]
  1. Univ. College London (United Kingdom). Dept. of Chemistry and Thomas Young Centre; Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.
  2. Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.; Univ. of Oxford (United Kingdom). Dept. of Physics and Clarendon Lab.
  3. Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.
  4. Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.; Renmin Univ. of China, Beijing (China). Dept. of Physics
  5. Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.; Chinese Academy of Sciences (CAS), Hefei (China). High Magnetic Field Lab.
  6. Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
  7. Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.; German Electron Synchrotron (DESY), Hamburg (Germany). Petra-III
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.; Univ. of Oxford (United Kingdom). Bodleian Libraries
OSTI Identifier:
1440895
Alternate Identifier(s):
OSTI ID: 1431148
Report Number(s):
BNL-205748-2018-JAAM
Journal ID: ISSN 2469-9950; PRBMDO; TRN: US1900832
Grant/Contract Number:  
SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 97; Journal Issue: 15; 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; charge density waves; composition; conductivity; crystal structure; density of states; dopants; Fermi surface; impurities in superconductors; multiband superconductivity; quantum criticality; superconductivity

Citation Formats

Ganose, Alex M., Gannon, Liam, Fabrizi, Federica, Nowell, Hariott, Barnett, Sarah A., Lei, Hechang, Zhu, Xiangde, Petrovic, Cedomir, Scanlon, David O., and Hoesch, Moritz. Local corrugation and persistent charge density wave in ZrTe3 with Ni intercalation. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.97.155103.
Ganose, Alex M., Gannon, Liam, Fabrizi, Federica, Nowell, Hariott, Barnett, Sarah A., Lei, Hechang, Zhu, Xiangde, Petrovic, Cedomir, Scanlon, David O., & Hoesch, Moritz. Local corrugation and persistent charge density wave in ZrTe3 with Ni intercalation. United States. doi:10.1103/PhysRevB.97.155103.
Ganose, Alex M., Gannon, Liam, Fabrizi, Federica, Nowell, Hariott, Barnett, Sarah A., Lei, Hechang, Zhu, Xiangde, Petrovic, Cedomir, Scanlon, David O., and Hoesch, Moritz. Tue . "Local corrugation and persistent charge density wave in ZrTe3 with Ni intercalation". United States. doi:10.1103/PhysRevB.97.155103. https://www.osti.gov/servlets/purl/1440895.
@article{osti_1440895,
title = {Local corrugation and persistent charge density wave in ZrTe3 with Ni intercalation},
author = {Ganose, Alex M. and Gannon, Liam and Fabrizi, Federica and Nowell, Hariott and Barnett, Sarah A. and Lei, Hechang and Zhu, Xiangde and Petrovic, Cedomir and Scanlon, David O. and Hoesch, Moritz},
abstractNote = {Here, the mechanism of emergent bulk superconductivity in transition-metal intercalated ZrTe3 is investigated by studying the effect of Ni doping on the band structure and charge density wave (CDW). The study reports theoretical and experimental results in the range of Ni0.01ZrTe3 to Ni0.05ZrTe3. In the highest doped samples, bulk superconductivity with Tc < TCDW is observed, with a reduced TCDW compared with pure ZrTe3. Relativistic ab initio calculations reveal that Ni incorporation occurs preferentially through intercalation in the van der Waals gap. Analysis of the structural and electronic effects of intercalation indicate buckling of the Te sheets adjacent to the Ni site akin to a locally stabilized CDW-like lattice distortion. In contrast to the changes of TCDW observed in resistivity, experiments with low-temperature x-ray diffraction, angle-resolved-photoemission spectroscopy, as well as temperature-dependent resistivity reveal the nearly unchanged persistence of the CDW into the regime of bulk superconductivity. The CDW gap is found to be unchanged in its extent in momentum space, with the gap size also unchanged or possibly slightly reduced upon Ni intercalation. Both experimental observations suggest that superconductivity coexists with the CDW in NixZrTe3.},
doi = {10.1103/PhysRevB.97.155103},
journal = {Physical Review B},
number = 15,
volume = 97,
place = {United States},
year = {2018},
month = {4}
}

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