Imaging and identification of point defects in PtTe2
Source abstract
Abstract
Abstract The properties and performance of two-dimensional (2D) materials can be greatly affected by point defects. PtTe2, a 2D material that belongs to the group 10 transition metal dichalcogenides, is a type-II Dirac semimetal, which has gained a lot of attention recently due to its potential for applications in catalysis, photonics, and spintronics. Here, we provide an experimental and theoretical investigation of point defects on and near the surface of PtTe2. Using scanning tunneling microscopy and scanning tunneling spectroscopy (STS) measurements, in combination with first-principle calculations, we identify and characterize five common surface and subsurface point defects. The influence of these defects on the electronic structure of PtTe2 is explored in detail through grid STS measurements and complementary density functional theory calculations. We believe these findings will be of significance to future efforts to engineer point defects in PtTe2, which is an interesting and enticing approach to tune the charge-carrier mobility and electron–hole recombination rates, as well as the site reactivity for catalysis.
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Research context
OpenAlex topics: 2D Materials and Applications · Graphene research and applications · MXene and MAX Phase Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (58)
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1. Novoselov, K. S. et al. Electric field effect in atomically thin carbon films. Science 306, 666–669 (2004).10.1126/science.1102896 ↗
2. Chen, Y. et al. Strong correlations and orbital texture in single-layer 1T-TaSe2. Nat. Phys. 16, 218–224 (2020).10.1038/s41567-019-0744-9 ↗
3. Aristov, V. Y. et al. Layer-by-layer graphene growth on β-SiC/Si(001). ACS Nano 13, 526–535 (2019).10.1021/acsnano.8b07237 ↗
4. Rubio-Verdú, C. et al. Visualization of multifractal superconductivity in a two-dimensional transition metal dichalcogenide in the weak disorder regime. Nano Lett. 20, 5111–5118 (2020).10.1021/acs.nanolett.0c01288 ↗
5. Goswami, S., Goswami, S. & Venkatesan, T. An organic approach to low energy memory and brain inspired electronics. Appl. Phys. Rev. 7, 021303 (2020).10.1063/1.5124155 ↗
6. Butler, S. Z. et al. Progress, challenges, and opportunities in two-dimensional materials beyond graphene. ACS Nano 7, 2898–2926 (2013).10.1021/nn400280c ↗
7. Huang, X., Tan, C., Yin, Z. & Zhang, H. 25th Anniversary article: hybrid nanostructures based on two‐dimensional nanomaterials. Adv. Mater. 26, 2185–2204 (2014).10.1002/adma.201304964 ↗
8. Manzeli, S. et al. 2D transition metal dichalcogenides. Nat. Rev. Mater. 2, 17033 (2017).10.1038/natrevmats.2017.33 ↗
9. Anasori, B., Lukatskaya, M. & Gogotsi, Y. 2D metal carbides and nitrides (MXenes) for energy storage. Nat. Rev. Mater. 2, 16098 (2017).10.1038/natrevmats.2016.98 ↗
10. Vyas, V. et al. A tunable azine covalent organic framework platform for visible light-induced hydrogen generation. Nat. Commun. 6, 8508 (2015).10.1038/ncomms9508 ↗
11. McManus, J. B. et al. Low-temperature synthesis and electrocatalytic application of large-area PtTe2 thin films. Nanotechnology 31, 375601 (2020).10.1088/1361-6528/ab9973 ↗
12. Sun, J., Muruganathan, M. & Mizuta, H. Room temperature detection of individual molecular physisorption using suspended bilayer graphene. Sci. Adv. 2, 1501518 (2016).10.1126/sciadv.1501518 ↗
13. Kempt, R., Kuc, A. & Heine, T. Two-dimensional noble-metal chalcogenides and phosphochalcogenides. Angew. Chem. Int. Ed. 59, 9242–9254 (2020).10.1002/anie.201914886 ↗
14. Wang, Q. et al. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. Nat. Nanotechnol. 7, 699–712 (2012).10.1038/nnano.2012.193 ↗
15. Lee, Y.-H. et al. Synthesis of large-area MoS2 atomic layers with chemical vapor deposition. Adv. Mater. 24, 2320–2325 (2012).10.1002/adma.201104798 ↗
16. Chih-Pin, L., Guohong, L., Jinhai, M., Li-Min, W. & Eva, Y. A. Bandgap, mid-gap states, and gating effects in MoS2. Nano Lett. 14, 4628–4633 (2014).10.1021/nl501659n ↗
17. Shree, S. et al. High optical quality of MoS2 monolayers grown by chemical vapor deposition. 2D Mater. 7, 015011 (2019).10.1088/2053-1583/ab4f1f ↗
18. Yan, M. et al. Lorentz-violating type-II Dirac fermions in transition metal dichalcogenide PtTe2. Nat. Commun. 8, 257 (2017).10.1038/s41467-017-00280-6 ↗
19. Song, H. et al. Low‐temperature eutectic synthesis of PtTe2 with Weak antilocalization and controlled layer thinning. Adv. Funct. Mater. 28, 1803746 (2018).10.1002/adfm.201803746 ↗
20. Hu, X. et al. Infrared nanoimaging of surface plasmons in type-II Dirac semimetal PtTe2 nanoribbons. ACS Nano 14, 6276–6284 (2020).10.1021/acsnano.0c02466 ↗
21. Xu, H. et al. High spin hall conductivity in large-area type-II Dirac semimetal PtTe2. Adv. Mater. 32, 2000513 (2020).10.1002/adma.202000513 ↗
22. Ma, H. et al. Thickness-tunable synthesis of ultrathin type-II Dirac semimetal PtTe2 single crystals and their thickness-dependent electronic properties. Nano Lett. 18, 3523–3529 (2018).10.1021/acs.nanolett.8b00583 ↗
23. Politano, A. et al. Tailoring the surface chemical reactivity of transition‐metal dichalcogenide PtTe2 crystals Adv. Funct. Mater. 28, 1706504 (2018).10.1002/adfm.201706504 ↗
24. Rosli, N. F. et al. Layered PtTe2 matches electrocatalytic performance of Pt/C for oxygen reduction reaction with significantly lower toxicity. ACS Sustain. Chem. Eng. 6, 7432–7441 (2018).10.1021/acssuschemeng.7b04920 ↗
25. Cheng, P. K. et al. Passively Q-switched Ytterbium-doped fiber laser based on broadband multilayer Platinum Ditelluride (PtTe2) saturable absorber. Sci. Rep. 9, 10106 (2019).10.1038/s41598-019-46658-y ↗
26. Xu, H. et al. PtTe2‐based type‐II Dirac semimetal and its van der Waals heterostructure for sensitive room temperature terahertz photodetection. Small 15, 1903362 (2019).10.1002/smll.201903362 ↗
27. Schuler, B. et al. Large spin-orbit splitting of deep in-gap defect states of engineered sulfur vacancies in monolayer WS2. Phys. Rev. Lett. 123, 076801 (2019).10.1103/PhysRevLett.123.076801 ↗
28. Lin, Z. et al. Defect engineering of two-dimensional transition metal dichalcogenides. 2D Mater. 3, 022002 (2016).10.1088/2053-1583/3/2/022002 ↗
29. Zheng, H. et al. Visualization of point defects in ultrathin layered 1T-PtSe2. 2D Mater. 6, 041005 (2019).10.1088/2053-1583/ab3beb ↗
30. Barja, S. et al. Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides. Nat. Commun. 10, 3382 (2019).10.1038/s41467-019-11342-2 ↗
31. Edelberg, D. et al. Approaching the intrinsic limit in transition metal diselenides via point defect control. Nano Lett. 19, 4371–4379 (2019).10.1021/acs.nanolett.9b00985 ↗
32. Zhang, S. et al. Defect structure of localized excitons in a WSe2 monolayer. Phys. Rev. B 119, 046101 (2017).10.1103/PhysRevLett.119.046101 ↗
33. Cochrane, K. A. et al. Intentional carbon doping reveals CH as an abundant charged impurity in nominally undoped synthetic WS2 and WSe2. 2D Mater. 7, 031003 (2020).10.1088/2053-1583/ab8543 ↗
34. Denga, K. et al. Crossover from 2D metal to 3D Dirac semimetal in metallic PtTe2 films with local Rashba effect. Sci. Bull. 64, 1044–1048 (2019).10.1016/j.scib.2019.05.023 ↗
35. Komsa, H. P., Kurasch, S., Lehtinen, O., Kaiser, U. & Krasheninnikov, A. V. From point to extended defects in two-dimensional MoS2: evolution of atomic structure under electron irradiation. Phys. Rev. B 88, 035301 (2013).10.1103/PhysRevB.88.035301 ↗
36. Hong, J. et al. Exploring atomic defects in molybdenum disulphide monolayers. Nat. Commun. 6, 6293 (2015).10.1038/ncomms7293 ↗
37. Wang, S., Robertson, A. & Warner, J. H. Atomic structure of defects and dopants in 2D layered transition metal dichalcogenides. Chem. Soc. Rev. 47, 6764–6794 (2018).10.1039/C8CS00236C ↗
38. Zhussupbekov, K. et al. Electronic and structural characterisation of polycrystalline platinum disulfide thin films. RSC Adv. 10, 42001–42007 (2020).10.1039/D0RA07405E ↗
39. Caffrey, D. et al. Crystallographic characterisation of ultra-thin, or amorphous transparent conducting oxides—the case for Raman spectroscopy. Materials 13, 267 (2020).10.3390/ma13020267 ↗
40. Anemone, G. et al. Experimental determination of surface thermal expansion and electron–phonon coupling constant of 1T-PtTe2. 2D Mater. 7, 025007 (2020).10.1088/2053-1583/ab6268 ↗
41. Zhang, K. et al. Experimental evidence for type-II Dirac semimetal in PtSe2. Phys. Rev. B 96, 125102 (2017).10.1103/PhysRevB.96.125102 ↗
42. Frolov, A. S. et al. Atomic and electronic structure of a multidomain GeTe crystal. ACS Nano 14, 16576–16589 (2020).10.1021/acsnano.0c05851 ↗
43. Zhussupbekov, K. et al. Oxidation of Nb(110): atomic structure of the NbO layer and its influence on further oxidation. Sci. Rep. 10, 3794 (2020).10.1038/s41598-020-60508-2 ↗
44. Hildebrand, B. et al. Doping nature of native defects in 1T-TiSe2. Phys. Rev. Let. 112, 197001 (2014).10.1103/PhysRevLett.112.197001 ↗
45. Ansari, L., Fagas, G., Colinge, J.-P. & Greer, J. C. A proposed confinement modulated gap nanowire transistor based on a metal (Tin). Nano Lett. 12, 2222–2227 (2012).10.1021/nl2040817 ↗
46. Gity, F. et al. Reinventing solid state electronics: harnessing quantum confinement in bismuth thin films. Appl. Phys. Lett. 110, 093111 (2017).10.1063/1.4977431 ↗
47. Ansari, L., Fagas, G., Gity, F. & Greer, J. C. A sub kBT/q semimetal nanowire field effect transistor. Appl. Phys. Lett. 109, 063108 (2016).10.1063/1.4960709 ↗
48. Ansari, L. et al. Quantum confinement-induced semimetal-to-semiconductor evolution in large-area ultra-thin PtSe2 films grown at 400 °C. NPJ 2D Mater. Appl. 3, 33 (2019).10.1038/s41699-019-0116-4 ↗
49. Heyd, J. & Scuseria, G. E. Hybrid functionals based on a screened Coulomb potential. J. Chem. Phys. 118, 8207 (2003).10.1063/1.1564060 ↗
50. Vancsó, P. et al. The intrinsic defect structure of exfoliated MoS2 single layers revealed by Scanning Tunneling Microscopy. Sci. Rep. 6, 29726 (2016).10.1038/srep29726 ↗
51. Gao, J. et al. Structure, stability, and kinetics of vacancy defects in monolayer PtSe2: a first-principles study. ACS Omega 2, 8640–8648 (2017).10.1021/acsomega.7b01619 ↗
52. McEvoy, N. et al. Synthesis and analysis of thin conducting pyrolytic carbon films. Carbon 50, 1216–1226 (2012).10.1016/j.carbon.2011.10.036 ↗
53. Smidstrup, S. et al. QuantumATK: an integrated platform of electronic and atomic-scale modelling tools. J. Phys. Condens. Matter 32, 015901 (2019).10.1088/1361-648X/ab4007 ↗
54. Ozaki, T. Variationally optimized atomic orbitals for large-scale electronic structures. Phys. Rev. B 67, 155108 (2003).10.1103/PhysRevB.67.155108 ↗
55. Monkhorst, H. J. & Pack, J. D. Special points for Brillouin-zone integrations. Phys. Rev. B 13, 5188 (1976).10.1103/PhysRevB.13.5188 ↗
56. Ferreira, L. G., Marques, M. & Teles, L. K. Approximation to density functional theory for the calculation of band gaps of semiconductors. Phys. Rev. B 78, 125116 (2008).10.1103/PhysRevB.78.125116 ↗
57. Ferreira, L. G., Marques, M. & Teles, L. K. Slater half-occupation technique revisited: the LDA-1/2 and GGA-1/2 approaches for atomic ionization energies and band gaps in semiconductors. AIP Adv. 1, 032119 (2011).10.1063/1.3624562 ↗
58. Lucatto, B. et al. General procedure for the calculation of accurate defect excitation energies from DFT-1/2 band structures: The case of the NV center in diamond. Phys. Rev. B 96, 075145 (2017).10.1103/PhysRevB.96.075145 ↗