Tutorial: Defects in topological semimetals

Alberi, Kirstin; Brooks, Chase; Leahy, Ian; Lany, Stephan

doi:10.1063/5.0217533

Tutorial: Defects in topological semimetals

Journal Article · Thu Sep 05 00:00:00 EDT 2024 · Journal of Applied Physics

DOI:https://doi.org/10.1063/5.0217533· OSTI ID:2447460

^[1]; ^[2]; ^[3]; ^[3]

National Renewable Energy Laboratory (NREL), Golden, CO (United States); Univ. of Colorado, Boulder, CO (United States)
Univ. of Colorado, Boulder, CO (United States)
National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Three-dimensional topological semimetals are a class of electronic materials in which their bulk and surface states contain linear band touching nodes near the Fermi level. Like semiconductors, their properties will be affected by point and extended defects in their crystal structures, although the extent to which defects and disorders influence topological semimetals may differ in key ways due to their unique electronic structures. In this Tutorial, we provide an overview of the defects in topological semimetals, covering both computational and experimental methods for exploring defect-property relationships. We also include a discussion on open questions that still need to be explored further.

View Accepted Manuscript (DOE)

Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 2447460

Report Number(s):: NREL/JA--5K00-91034; MainId:92812; UUID:d24b4b1d-e3e1-4f96-ab29-33006d9ba345; MainAdminId:73559

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 9 Vol. 136; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (59)

Toward the Effective Exploitation of Topological Phases of Matter in Catalysis: Chemical Reactions at the Surfaces of NbAs and TaAs Weyl Semimetals Politano, Antonio; Chiarello, Gennaro; Li, Zhilin Advanced Functional Materials, Vol. 28, Issue 23 https://doi.org/10.1002/adfm.201800511	journal	April 2018
Low-Temperature Eutectic Synthesis of PtTe ₂ with Weak Antilocalization and Controlled Layer Thinning Hao, Song; Zeng, Junwen; Xu, Tao Advanced Functional Materials, Vol. 28, Issue 36 https://doi.org/10.1002/adfm.201803746	journal	July 2018
Surface Reconstruction, Oxidation Mechanism, and Stability of Cd ₃ As ₂ Gao, Junfeng; Cupolillo, Anna; Nappini, Silvia Advanced Functional Materials, Vol. 29, Issue 26 https://doi.org/10.1002/adfm.201900965	journal	March 2019
Scanning tunneling microscopy of III-V compound semiconductor (001) surfaces Xue, Q. Progress in Surface Science, Vol. 56, Issue 1-2 https://doi.org/10.1016/S0079-6816(97)00033-6	journal	October 1997
Scanning tunneling microscopy of semiconductor surfaces Kubby, J. A.; Boland, J. J. Surface Science Reports, Vol. 26, Issue 3-6 https://doi.org/10.1016/S0167-5729(97)80001-5	journal	December 1996
Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique Pashov, Dimitar; Acharya, Swagata; Lambrecht, Walter R. L. Computer Physics Communications, Vol. 249 https://doi.org/10.1016/j.cpc.2019.107065	journal	April 2020
Thin-film TaAs: Developing a platform for Weyl semimetal devices Nelson, Jocienne N.; Rice, Anthony D.; Kurleto, Rafał Matter, Vol. 6, Issue 9 https://doi.org/10.1016/j.matt.2023.06.018	journal	September 2023
Theory of dynamical electron channeling contrast images of near-surface crystal defects Picard, Y. N.; Liu, M.; Lammatao, J. Ultramicroscopy, Vol. 146 https://doi.org/10.1016/j.ultramic.2014.07.006	journal	November 2014
Structural Properties of TaAs Weyl Semimetal Thin Films Grown by Molecular Beam Epitaxy on GaAs(001) Substrates Sadowski, Janusz; Domagała, Jarosław Z.; Zajkowska, Wiktoria Crystal Growth & Design, Vol. 22, Issue 10 https://doi.org/10.1021/acs.cgd.2c00669	journal	September 2022
Chemical Principles of Topological Semimetals Schoop, Leslie M.; Pielnhofer, Florian; Lotsch, Bettina V. Chemistry of Materials, Vol. 30, Issue 10 https://doi.org/10.1021/acs.chemmater.7b05133	journal	April 2018
Realization of Epitaxial NbP and TaP Weyl Semimetal Thin Films Bedoya-Pinto, Amilcar; Pandeya, Avanindra Kumar; Liu, Defa ACS Nano, Vol. 14, Issue 4 https://doi.org/10.1021/acsnano.9b09997	journal	February 2020
A stable three-dimensional topological Dirac semimetal Cd3As2 Liu, Z. K.; Jiang, J.; Zhou, B. Nature Materials, Vol. 13, Issue 7 https://doi.org/10.1038/nmat3990	journal	May 2014
Landau quantization and quasiparticle interference in the three-dimensional Dirac semimetal Cd3As2 Jeon, Sangjun; Zhou, Brian B.; Gyenis, Andras Nature Materials, Vol. 13, Issue 9 https://doi.org/10.1038/nmat4023	journal	June 2014
Ultrahigh mobility and giant magnetoresistance in the Dirac semimetal Cd3As2 Liang, Tian; Gibson, Quinn; Ali, Mazhar N. Nature Materials, Vol. 14, Issue 3 https://doi.org/10.1038/nmat4143	journal	November 2014
Topological semimetals Burkov, A. A. Nature Materials, Vol. 15, Issue 11 https://doi.org/10.1038/nmat4788	journal	October 2016
Towards properties on demand in quantum materials Basov, D. N.; Averitt, R. D.; Hsieh, D. Nature Materials, Vol. 16, Issue 11 https://doi.org/10.1038/nmat5017	journal	October 2017
Extremely large magnetoresistance and ultrahigh mobility in the topological Weyl semimetal candidate NbP Shekhar, Chandra; Nayak, Ajaya K.; Sun, Yan Nature Physics, Vol. 11, Issue 8 https://doi.org/10.1038/nphys3372	journal	June 2015
The physics of quantum materials Keimer, B.; Moore, J. E. Nature Physics, Vol. 13, Issue 11 https://doi.org/10.1038/nphys4302	journal	October 2017
Surface-dominated conductance scaling in Weyl semimetal NbAs Kumar, Sushant; Tu, Yi-Hsin; Luo, Sheng npj Computational Materials, Vol. 10, Issue 1 https://doi.org/10.1038/s41524-024-01263-0	journal	May 2024
Unconventional resistivity scaling in topological semimetal CoSi Lien, Shang-Wei; Garate, Ion; Bajpai, Utkarsh npj Quantum Materials, Vol. 8, Issue 1 https://doi.org/10.1038/s41535-022-00535-6	journal	January 2023
Weyl, Dirac and high-fold chiral fermions in topological quantum matter Hasan, M. Zahid; Chang, Guoqing; Belopolski, Ilya Nature Reviews Materials, Vol. 6, Issue 9 https://doi.org/10.1038/s41578-021-00301-3	journal	April 2021
Structural characterisation of high-mobility Cd3As2 films crystallised on SrTiO3 Nakazawa, Yusuke; Uchida, Masaki; Nishihaya, Shinichi Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-20758-7	journal	February 2018
Halogen n-type doping of chalcopyrite semiconductors Lany, Stephan; Zhao, Yu-Jun; Persson, Clas Applied Physics Letters, Vol. 86, Issue 4 https://doi.org/10.1063/1.1854218	journal	January 2005
Calculation of shallow donor levels in GaN Wang, H.; Chen, A. -B. Journal of Applied Physics, Vol. 87, Issue 11 https://doi.org/10.1063/1.373467	journal	June 2000
Tutorial: Defects in semiconductors—Combining experiment and theory Alkauskas, Audrius; McCluskey, Matthew D.; Van de Walle, Chris G. Journal of Applied Physics, Vol. 119, Issue 18 https://doi.org/10.1063/1.4948245	journal	May 2016
Molecular beam epitaxy of Cd ₃ As ₂ on a III-V substrate Schumann, Timo; Goyal, Manik; Kim, Honggyu APL Materials, Vol. 4, Issue 12 https://doi.org/10.1063/1.4972999	journal	December 2016
Molecular beam epitaxy of three-dimensionally thick Dirac semimetal Cd ₃ As ₂ films Nakazawa, Y.; Uchida, M.; Nishihaya, S. APL Materials, Vol. 7, Issue 7 https://doi.org/10.1063/1.5098529	journal	July 2019
Carrier mobilities of (001) cadmium arsenide films Goyal, Manik; Salmani-Rezaie, Salva; Pardue, Tyler N. APL Materials, Vol. 8, Issue 5 https://doi.org/10.1063/5.0002771	journal	May 2020
Nonsaturating large magnetoresistance in semimetals Leahy, Ian A.; Lin, Yu-Ping; Siegfried, Peter E. Proceedings of the National Academy of Sciences, Vol. 115, Issue 42 https://doi.org/10.1073/pnas.1808747115	journal	October 2018
Cross-sectional scanning tunnelling microscopy of III-V semiconductor structures Feenstra, R. M. Semiconductor Science and Technology, Vol. 9, Issue 12 https://doi.org/10.1088/0268-1242/9/12/001	journal	December 1994
Accurate prediction of defect properties in density functional supercell calculations Lany, Stephan; Zunger, Alex Modelling and Simulation in Materials Science and Engineering, Vol. 17, Issue 8 https://doi.org/10.1088/0965-0393/17/8/084002	journal	November 2009
Giant Dampinglike-Torque Efficiency in Naturally Oxidized Polycrystalline TaAs Thin Films Yanez, Wilson; Ou, Yongxi; Xiao, Run Physical Review Applied, Vol. 18, Issue 5 https://doi.org/10.1103/PhysRevApplied.18.054004	journal	November 2022
Band energy dependence of defect formation in the topological semimetal Cd3As2 Brooks, Chase; van Schilfgaarde, Mark; Pashov, Dimitar Physical Review B, Vol. 107, Issue 22 https://doi.org/10.1103/PhysRevB.107.224110	journal	June 2023
Direct link between disorder and magnetoresistance in topological semimetals Nelson, Jocienne N.; Leahy, Ian A.; Rice, Anthony D. Physical Review B, Vol. 107, Issue 22 https://doi.org/10.1103/PhysRevB.107.L220206	journal	June 2023
n -type doping of CuIn Se 2 and CuGa Se 2 Persson, Clas; Zhao, Yu-Jun; Lany, Stephan Physical Review B, Vol. 72, Issue 3 https://doi.org/10.1103/PhysRevB.72.035211	journal	July 2005
Anion vacancies as a source of persistent photoconductivity in II-VI and chalcopyrite semiconductors Lany, Stephan; Zunger, Alex Physical Review B, Vol. 72, Issue 3 https://doi.org/10.1103/PhysRevB.72.035215	journal	July 2005
Classical magnetotransport of inhomogeneous conductors Parish, Meera M.; Littlewood, Peter B. Physical Review B, Vol. 72, Issue 9 https://doi.org/10.1103/PhysRevB.72.094417	journal	September 2005
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs Lany, Stephan; Zunger, Alex Physical Review B, Vol. 78, Issue 23, Article No. 235104 https://doi.org/10.1103/PhysRevB.78.235104	journal	December 2008
Rare region effects dominate weakly disordered three-dimensional Dirac points Nandkishore, Rahul; Huse, David A.; Sondhi, S. L. Physical Review B, Vol. 89, Issue 24 https://doi.org/10.1103/PhysRevB.89.245110	journal	June 2014
Coulomb disorder in three-dimensional Dirac systems Skinner, Brian Physical Review B, Vol. 90, Issue 6 https://doi.org/10.1103/PhysRevB.90.060202	journal	August 2014
Diffusive quantum criticality in three-dimensional disordered Dirac semimetals Roy, Bitan; Das Sarma, S. Physical Review B, Vol. 90, Issue 24 https://doi.org/10.1103/PhysRevB.90.241112	journal	December 2014
Linear magnetoresistance in metals: Guiding center diffusion in a smooth random potential Song, Justin C. W.; Refael, Gil; Lee, Patrick A. Physical Review B, Vol. 92, Issue 18 https://doi.org/10.1103/PhysRevB.92.180204	journal	November 2015
Coexistence of Weyl physics and planar defects in the semimetals TaP and TaAs Besara, T.; Rhodes, D. A.; Chen, K. -W. Physical Review B, Vol. 93, Issue 24 https://doi.org/10.1103/PhysRevB.93.245152	journal	June 2016
Origin of nonsaturating linear magnetoresistivity Kisslinger, Ferdinand; Ott, Christian; Weber, Heiko B. Physical Review B, Vol. 95, Issue 2 https://doi.org/10.1103/PhysRevB.95.024204	journal	January 2017
Electronic properties of disordered Weyl semimetals at charge neutrality Holder, Tobias; Huang, Chia-Wei; Ostrovsky, Pavel M. Physical Review B, Vol. 96, Issue 17 https://doi.org/10.1103/PhysRevB.96.174205	journal	November 2017
Quantum Transport of Disordered Weyl Semimetals at the Nodal Point Sbierski, Björn; Pohl, Gregor; Bergholtz, Emil J. Physical Review Letters, Vol. 113, Issue 2 https://doi.org/10.1103/PhysRevLett.113.026602	journal	July 2014
Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion Zhang, S.; Northrup, John Physical Review Letters, Vol. 67, Issue 17 https://doi.org/10.1103/PhysRevLett.67.2339	journal	October 1991
Observation of bulk defects by scanning tunneling microscopy and spectroscopy: Arsenic antisite defects in GaAs Feenstra, R. M.; Woodall, J. M.; Pettit, G. D. Physical Review Letters, Vol. 71, Issue 8 https://doi.org/10.1103/PhysRevLett.71.1176	journal	August 1993
Atomically Precise Placement of Single Dopants in Si Schofield, S. R.; Curson, N. J.; Simmons, M. Y. Physical Review Letters, Vol. 91, Issue 13 https://doi.org/10.1103/PhysRevLett.91.136104	journal	September 2003
Nitrogen surface passivation of the Dirac semimetal C d 3 A s 2 Galletti, Luca; Schumann, Timo; Mates, Thomas E. Physical Review Materials, Vol. 2, Issue 12 https://doi.org/10.1103/PhysRevMaterials.2.124202	journal	December 2018
Defects in C d 3 A s 2 epilayers via molecular beam epitaxy and strategies for reducing them Rice, A. D.; Park, K.; Hughes, E. T. Physical Review Materials, Vol. 3, Issue 12 https://doi.org/10.1103/PhysRevMaterials.3.121201	journal	December 2019
Nature of native atomic defects in ZrTe5 and their impact on the low-energy electronic structure Salzmann, B.; Pulkkinen, A.; Hildebrand, B. Physical Review Materials, Vol. 4, Issue 11 https://doi.org/10.1103/PhysRevMaterials.4.114201	journal	November 2020
Extended Kohler’s Rule of Magnetoresistance Xu, Jing; Han, Fei; Wang, Ting-Ting Physical Review X, Vol. 11, Issue 4 https://doi.org/10.1103/PhysRevX.11.041029	journal	November 2021
Rare-Region-Induced Avoided Quantum Criticality in Disordered Three-Dimensional Dirac and Weyl Semimetals Pixley, J. H.; Huse, David A.; Das Sarma, S. Physical Review X, Vol. 6, Issue 2 https://doi.org/10.1103/PhysRevX.6.021042	journal	June 2016
First-principles calculations for point defects in solids Freysoldt, Christoph; Grabowski, Blazej; Hickel, Tilmann Reviews of Modern Physics, Vol. 86, Issue 1 https://doi.org/10.1103/RevModPhys.86.253	journal	March 2014
Spatial charge inhomogeneity and defect states in topological Dirac semimetal thin films of Na ₃ Bi Edmonds, Mark T.; Collins, James L.; Hellerstedt, Jack Science Advances, Vol. 3, Issue 12 https://doi.org/10.1126/sciadv.aao6661	journal	December 2017
Discovery of a Three-Dimensional Topological Dirac Semimetal, Na3Bi Liu, Z. K.; Zhou, B.; Zhang, Y. Science, Vol. 343, Issue 6173 https://doi.org/10.1126/science.1245085	journal	January 2014
Defects in Semiconductors: Some Fatal, Some Vital Queisser, H. J. Science, Vol. 281, Issue 5379 https://doi.org/10.1126/science.281.5379.945	journal	August 1998
Discovery of a Weyl fermion semimetal and topological Fermi arcs Xu, S. -Y.; Belopolski, I.; Alidoust, N. Science, Vol. 349, Issue 6248 https://doi.org/10.1126/science.aaa9297	journal	July 2015

Similar Records

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
Fermi-Dirac distribution
crystalline solids
crystallographic defects
electronic transport
scanning tunneling microscopy
semimetals
surface states
thin films

Tutorial: Defects in topological semimetals

Citation Formats

References (59)

Similar Records

Related Subjects