DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Visualizing the out-of-plane electronic dispersions in an intercalated transition metal dichalcogenide

Abstract

Layered transition metal dichalcogenides have a rich phase diagram and they feature two-dimensionality in numerous physical properties. Co1/3NbS2 is one of the newest members of this family where Co atoms are intercalated into the van der Waals gaps between NbS2 layers. Here, we study the three-dimensional electronic band structure of Co1/3NbS2 using both surface and bulk sensitive angle-resolved photoemission spectroscopy. We show that the electronic bands do not fit into the rigid band shift picture after the Co intercalation. Instead, Co1/3NbS2 displays a different orbital character near the Fermi level compared to the pristine NbS2 compound and has a clear band dispersion in the kz direction despite its layered structure. Our photoemission study demonstrates the out-of-plane electronic correlations introduced by the Co intercalation, thus offering a different perspective on this compound. Finally, we propose how Fermi level tuning could lead to exotic phases such as spin density wave instability.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1];  [3];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1]; ORCiD logo [1];  [4];  [5];  [4]; ORCiD logo [6];  [3];  [2];  [1]
  1. Princeton Univ., NJ (United States)
  2. Arizona State Univ., Tempe, AZ (United States)
  3. George Mason Univ., Fairfax, VA (United States)
  4. Paul Scherrer Inst. (PSI), Villigen (Switzerland)
  5. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States); Purdue Univ., West Lafayette, IN (United States)
  6. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Science Foundation (NSF)
OSTI Identifier:
1885145
Grant/Contract Number:  
AC02-05CH11231; FG02-05ER46200; DMR 1904716; DGE-1656466
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B
Additional Journal Information:
Journal Volume: 105; Journal Issue: 12; 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; anomalous Hall effect; antiferromagnetism; atomic orbital; transition metal dichalcogenides; angle-resolved photoemission spectroscopy; first-principles calculations; topology

Citation Formats

Yang, Xian P., LaBollita, Harrison, Cheng, Zi-Jia, Bhandari, Hari, Cochran, Tyler A., Yin, Jia-Xin, Hossain, Md. Shafayat, Belopolski, Ilya, Zhang, Qi, Jiang, Yuxiao, Shumiya, Nana, Multer, Daniel, Liskevich, Maksim, Usanov, Dmitry A., Dang, Yanliu, Strocov, Vladimir N., Davydov, Albert V., Ghimire, Nirmal J., Botana, Antia S., and Hasan, M. Zahid. Visualizing the out-of-plane electronic dispersions in an intercalated transition metal dichalcogenide. United States: N. p., 2022. Web. doi:10.1103/physrevb.105.l121107.
Yang, Xian P., LaBollita, Harrison, Cheng, Zi-Jia, Bhandari, Hari, Cochran, Tyler A., Yin, Jia-Xin, Hossain, Md. Shafayat, Belopolski, Ilya, Zhang, Qi, Jiang, Yuxiao, Shumiya, Nana, Multer, Daniel, Liskevich, Maksim, Usanov, Dmitry A., Dang, Yanliu, Strocov, Vladimir N., Davydov, Albert V., Ghimire, Nirmal J., Botana, Antia S., & Hasan, M. Zahid. Visualizing the out-of-plane electronic dispersions in an intercalated transition metal dichalcogenide. United States. https://doi.org/10.1103/physrevb.105.l121107
Yang, Xian P., LaBollita, Harrison, Cheng, Zi-Jia, Bhandari, Hari, Cochran, Tyler A., Yin, Jia-Xin, Hossain, Md. Shafayat, Belopolski, Ilya, Zhang, Qi, Jiang, Yuxiao, Shumiya, Nana, Multer, Daniel, Liskevich, Maksim, Usanov, Dmitry A., Dang, Yanliu, Strocov, Vladimir N., Davydov, Albert V., Ghimire, Nirmal J., Botana, Antia S., and Hasan, M. Zahid. Mon . "Visualizing the out-of-plane electronic dispersions in an intercalated transition metal dichalcogenide". United States. https://doi.org/10.1103/physrevb.105.l121107. https://www.osti.gov/servlets/purl/1885145.
@article{osti_1885145,
title = {Visualizing the out-of-plane electronic dispersions in an intercalated transition metal dichalcogenide},
author = {Yang, Xian P. and LaBollita, Harrison and Cheng, Zi-Jia and Bhandari, Hari and Cochran, Tyler A. and Yin, Jia-Xin and Hossain, Md. Shafayat and Belopolski, Ilya and Zhang, Qi and Jiang, Yuxiao and Shumiya, Nana and Multer, Daniel and Liskevich, Maksim and Usanov, Dmitry A. and Dang, Yanliu and Strocov, Vladimir N. and Davydov, Albert V. and Ghimire, Nirmal J. and Botana, Antia S. and Hasan, M. Zahid},
abstractNote = {Layered transition metal dichalcogenides have a rich phase diagram and they feature two-dimensionality in numerous physical properties. Co1/3NbS2 is one of the newest members of this family where Co atoms are intercalated into the van der Waals gaps between NbS2 layers. Here, we study the three-dimensional electronic band structure of Co1/3NbS2 using both surface and bulk sensitive angle-resolved photoemission spectroscopy. We show that the electronic bands do not fit into the rigid band shift picture after the Co intercalation. Instead, Co1/3NbS2 displays a different orbital character near the Fermi level compared to the pristine NbS2 compound and has a clear band dispersion in the kz direction despite its layered structure. Our photoemission study demonstrates the out-of-plane electronic correlations introduced by the Co intercalation, thus offering a different perspective on this compound. Finally, we propose how Fermi level tuning could lead to exotic phases such as spin density wave instability.},
doi = {10.1103/physrevb.105.l121107},
journal = {Physical Review. B},
number = 12,
volume = 105,
place = {United States},
year = {Mon Mar 14 00:00:00 EDT 2022},
month = {Mon Mar 14 00:00:00 EDT 2022}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Magnetic structure of Co 1/3 NbS 2 and Co 1/3 TaS 2
journal, May 1983

  • Parkin, S. S. P.; Marseglia, E. A.; Brown, P. J.
  • Journal of Physics C: Solid State Physics, Vol. 16, Issue 14
  • DOI: 10.1088/0022-3719/16/14/016

Topological quantum properties of chiral crystals
journal, October 2018


Giant anomalous Hall effect in quasi-two-dimensional layered antiferromagnet Co 1 / 3 NbS 2
journal, April 2020


Quantum-limit Chern topological magnetism in TbMn6Sn6
journal, July 2020


Large anomalous Hall effect in a non-collinear antiferromagnet at room temperature
journal, October 2015

  • Nakatsuji, Satoru; Kiyohara, Naoki; Higo, Tomoya
  • Nature, Vol. 527, Issue 7577
  • DOI: 10.1038/nature15723

Topological origin of the type-II Dirac fermions in PtSe 2
journal, December 2017


Fermiology and electron-phonon coupling in the 2 H and 3 R polytypes of Nb S 2
journal, April 2021


3 d transition-metal intercalates of the niobium and tantalum dichalcogenides. I. Magnetic properties
journal, January 1980


Signatures of moiré-trapped valley excitons in MoSe2/WSe2 heterobilayers
journal, February 2019


Momentum-Dependent Spin Splitting by Collinear Antiferromagnetic Ordering
journal, December 2019

  • Hayami, Satoru; Yanagi, Yuki; Kusunose, Hiroaki
  • Journal of the Physical Society of Japan, Vol. 88, Issue 12
  • DOI: 10.7566/JPSJ.88.123702

Composite Weyl nodes stabilized by screw symmetry with and without time-reversal invariance
journal, July 2017


Interplay of sample composition and anomalous Hall effect in CoxNbS2
journal, May 2021


Magnetism, superconductivity, and pairing symmetry in iron-based superconductors
journal, October 2008


Large anomalous Hall effect in a half-Heusler antiferromagnet
journal, July 2016

  • Suzuki, T.; Chisnell, R.; Devarakonda, A.
  • Nature Physics, Vol. 12, Issue 12
  • DOI: 10.1038/nphys3831

Massive Dirac fermions in a ferromagnetic kagome metal
journal, March 2018


First-principles study of magnetic states and the anomalous Hall conductivity of MNb3S6 (M=Co,Fe,Mn, and Ni)
journal, February 2022


Large anomalous Hall effect driven by a nonvanishing Berry curvature in the noncolinear antiferromagnet Mn 3 Ge
journal, April 2016

  • Nayak, Ajaya K.; Fischer, Julia Erika; Sun, Yan
  • Science Advances, Vol. 2, Issue 4
  • DOI: 10.1126/sciadv.1501870

Giant momentum-dependent spin splitting in centrosymmetric low- Z antiferromagnets
journal, July 2020


Electrical and magnetic properties of some first row transition metal intercalates of niobium disulphide
journal, May 1977

  • Friend, R. H.; Beal, A. R.; Yoffe, A. D.
  • The Philosophical Magazine: A Journal of Theoretical Experimental and Applied Physics, Vol. 35, Issue 5
  • DOI: 10.1080/14786437708232952

Large anomalous Hall effect in the chiral-lattice antiferromagnet CoNb3S6
journal, August 2018


High-resolution soft X-ray beamline ADRESS at the Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies
journal, July 2010

  • Strocov, V. N.; Schmitt, T.; Flechsig, U.
  • Journal of Synchrotron Radiation, Vol. 17, Issue 5
  • DOI: 10.1107/S0909049510019862

Structural and photoemission studies of some transition metal intercalates of NbS 2
journal, December 1976


Soft-X-ray ARPES facility at the ADRESS beamline of the SLS: concepts, technical realisation and scientific applications
journal, November 2013


From Mott state to superconductivity in 1T-TaS2
journal, November 2008

  • Sipos, B.; Kusmartseva, A. F.; Akrap, A.
  • Nature Materials, Vol. 7, Issue 12
  • DOI: 10.1038/nmat2318

Crystal time-reversal symmetry breaking and spontaneous Hall effect in collinear antiferromagnets
journal, June 2020

  • Šmejkal, Libor; González-Hernández, Rafael; Jungwirth, T.
  • Science Advances, Vol. 6, Issue 23
  • DOI: 10.1126/sciadv.aaz8809

On the origin of charge-density waves in select layered transition-metal dichalcogenides
journal, May 2011


Orbital textures and charge density waves in transition metal dichalcogenides
journal, March 2015

  • Ritschel, T.; Trinckauf, J.; Koepernik, K.
  • Nature Physics, Vol. 11, Issue 4
  • DOI: 10.1038/nphys3267

Superconducting Density of States and Vortex Cores of 2H- NbS 2
journal, October 2008


Electronic structure of the chiral helimagnet and 3 d -intercalated transition metal dichalcogenide C r 1 / 3 Nb S 2
journal, August 2016


Anomalous Hall Effect Arising from Noncollinear Antiferromagnetism
journal, January 2014


Three-Dimensional Electron Realm in VSe 2 by Soft-X-Ray Photoelectron Spectroscopy: Origin of Charge-Density Waves
journal, August 2012


Anomalous Hall effect
journal, May 2010


WIEN2k: An APW+lo program for calculating the properties of solids
journal, February 2020

  • Blaha, Peter; Schwarz, Karlheinz; Tran, Fabien
  • The Journal of Chemical Physics, Vol. 152, Issue 7
  • DOI: 10.1063/1.5143061

Angle-resolved photoemission studies of the cuprate superconductors
journal, April 2003

  • Damascelli, Andrea; Hussain, Zahid; Shen, Zhi-Xun
  • Reviews of Modern Physics, Vol. 75, Issue 2
  • DOI: 10.1103/RevModPhys.75.473