Quantum conductance of defected phosphorene and germanene nanoribbons
Source abstract
Abstract
The electronic and transport properties of the monolayer black phosphorus and germanene nanoribbons are studied in the framework of the tight-binding model (TBM) based upon Landauer-Buttiker formalism using Green’s function method (GFM). The local density of states (LDOS) and electronic conductance of the phosphorene and germanene nanoribbons along zigzag and armchair directions are examined when the various types of defects are introduced into the system. It is found that the transport properties of zigzag phosphorene and germanene nanoribbons are strongly dependent on the number and location of the vacancies. Furthermore, it is shown that the one-/three-atom vacancy induces quasi-states in the conductance around the Fermi energy because of breaking the sublattice symmetry in the zigzag germanene nanoribbons (ZGeNRs). So the metal-semiconductor transition occurs when one-/three-atom vacancy is located at the edges of ZGeNRs; however, this transition is not observed in the zigzag phosphorene nanoribbons (ZPNRs). Besides, the results of the calculations indicate more sensitivity of ZPNRs on conductivity to the edge vacancy disorders than armchair phosphorene nanoribbons (APNRs). In addition, the conductance of ZPNRs decreases with the increment of the ribbon width in the presence of edge vacancy. Importantly, the disappearance of conductance around Fermi energy in ZPNR due to Anderson localization disorder highlights an important conclusion for the possibility of quenching of the conductance near the Fermi energy, making this class of materials appealing for applications in digital transistor devices.
Source: openaire · Quality: candidate unverified · Source record ↗
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 (68)
Show source-provided references
1. Abrahams E (ed) (2010) 50 years of Anderson Localization. World Scientific Publishing Co. Pte. Ltd., University of California, Los Angeles
2. Aftab T (2017) Valleytronics and phase transition in silicene. Phys Lett A 381:935–943. https://doi.org/10.1016/j.physleta.2017.01.02010.1016/j.physleta.2017.01.020 ↗
3. Aure’lien L, Biel B, Yann-Michel Niquet SR (2008) Transport length scales in disordered graphene-based materials: strong localization regimes and dimensionality effects. Phys Rev Lett 036803:1–4. https://doi.org/10.1103/PhysRevLett.100.03680310.1103/PhysRevLett.100.036803 ↗
4. Bagheri S, Mansouri N, Aghaie E (2016) Phosphorene: a new competitor for graphene. Int J Hydrog Energy 41:4085–4095. https://doi.org/10.1016/j.ijhydene.2016.01.03410.1016/j.ijhydene.2016.01.034 ↗
5. Bianco E, Butler S, Jiang S, Restrepo OD, Windl W, Goldberger JE (2013) Stability and exfoliation of germanane: a germanium graphane analogue. ACS Nano 7:4414–4421. https://doi.org/10.1021/nn400940610.1021/nn4009406 ↗
6. Buscema M, Groenendijk DJ, Steele GA, van der Zant HSJ, Castellanos-Gomez A (2014) Photovoltaic effect in few-layer black phosphorus PN junctions defined by local electrostatic gating. Nat Commun 5:1–6. https://doi.org/10.1038/ncomms565110.1038/ncomms5651 ↗
7. Butler SZ, Hollen SM, Cao L, Cui Y, Gupta JA, Gutiérrez HR, Heinz TF, Hong SS, Huang J, Ismach AF, Johnston-Halperin E, Kuno M, Plashnitsa VV, Robinson RD, Ruoff RS, Salahuddin S, Shan J, Shi L, Spencer MG, Terrones M, Windl W, Goldberger JE (2013) Progress, challenges, and opportunities in two-dimensional materials beyond graphene. ACS Nano 7:2898–2926. https://doi.org/10.1021/nn400280c10.1021/nn400280c ↗
8. Cai Y, Zhang G, Zhang YW (2014) Layer-dependent band alignment and work function of few-layer phosphorene. Sci Rep 4:1–6. https://doi.org/10.1038/srep0667710.1038/srep06677 ↗
9. Coello-Fiallos D, Tene T, Guayllas JL, Haro D, Haro A, Vacacela Gomez C (2017) DFT comparison of structural and electronic properties of graphene and germanene: monolayer and bilayer systems. Mater Today Proc 4:6835–6841. https://doi.org/10.1016/j.matpr.2017.07.01110.1016/j.matpr.2017.07.011 ↗
10. Cresti A, Nemec N, Biel B, Niebler G, Triozon F, Cuniberti G, Roche S (2008) Charge transport in disordered graphene-based low dimensional materials. Nano Res 1:361–394. https://doi.org/10.1007/s12274-008-8043-210.1007/s12274-008-8043-2 ↗
11. Dai J, Zeng XC (2014) Bilayer phosphorene: effect of stacking order on bandgap and its potential applications in thin-film solar cells. J Phys Chem Lett 5:1289–1293. https://doi.org/10.1021/jz500409m10.1021/jz500409m ↗
12. Das S, Zhang W, Demarteau M, Hoffmann A, Dubey M, Roelofs A (2014) Tunable transport gap in phosphorene. Nano Lett 14:5733–5739. https://doi.org/10.1021/nl502553510.1021/nl5025535 ↗
13. Datta S (1995) Electronic transport in mesoscopic systems. Cambridge University Press, Cambridge10.1017/CBO9780511805776 ↗
14. Datta S (2005) Quantum transport : atom to transistor. Cambridge University Press, New York10.1017/CBO9781139164313 ↗
15. Dávila ME, Xian L, Cahangirov S, Rubio A, le Lay G (2014) Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene. New J Phys 16:095002. https://doi.org/10.1088/1367-2630/16/9/09500210.1088/1367-2630/16/9/095002 ↗
16. Duan X, Wang C, Pan A, Yu R, Duan X (2015) Two-dimensional transition metal dichalcogenides as atomically thin semiconductors: opportunities and challenges. Chem Soc Rev 44:8859–8876. https://doi.org/10.1039/C5CS00507H10.1039/C5CS00507H ↗
17. Ezawa M (2012) A topological insulator and helical zero mode in silicene under an inhomogeneous electric field. New J Phys 14:033003. https://doi.org/10.1088/1367-2630/14/3/03300310.1088/1367-2630/14/3/033003 ↗
18. Ezawa M (2014a) Electrically tunable quasi-flat bands, conductance and field effect transistor in phosphorene. New J Phys 1404:5788. https://doi.org/10.1088/1367-2630/16/11/11500410.1088/1367-2630/16/11/115004 ↗
19. Ezawa M (2014b) Topological origin of quasi-flat edge band in phosphorene. New J Phys 16:115004. https://doi.org/10.1088/1367-2630/16/11/11500410.1088/1367-2630/16/11/115004 ↗
20. Fisher DS, Lee PA (1981) Relation between conductivity and transmission matrix. Phys Rev B 23:6851–6854. https://doi.org/10.1103/PhysRevB.23.685110.1103/PhysRevB.23.6851 ↗
21. Geim AK, Grigorieva IV (2013) Van der Waals heterostructures. Nature 499:419–425. https://doi.org/10.1038/nature1238510.1038/nature12385 ↗
22. Geim AK, Novoselov KS (2007) The rise of graphene. Nat Mater 6:183–191. https://doi.org/10.1038/nmat184910.1038/nmat1849 ↗
23. Gorjizadeh N, Kawazoe Y, Farajian AA (2011) Electronic and transport properties of defected graphene nanoribbons. In: Mikhailov S (ed) Physics and applications of graphene: theory. InTech, pp 417–43210.5772/14558 ↗
24. Guan XM, Zhang M, Zhang HY, Luo YH (2014) Opening band gap of graphene by chemical doping: a first principles study. Chin J Struct Chem 33:513–518
25. Guo H, Lu N, Dai J, Wu X, Zeng XC (2014) Phosphorene nanoribbons, phosphorus nanotubes, and van der Waals multilayers. J Phys Chem C 118:14051–14059. https://doi.org/10.1021/jp505257g10.1021/jp505257g ↗
26. H L, Neal AT, Zhu Z et al (2014) Phosphorene : an unexplored 2D semiconductor with a high hole. ACS Nano 8:4033–4041. https://doi.org/10.1021/nn501226z10.1021/nn501226z ↗
27. Han X, Morgan Stewart H, Shevlin SA et al (2014) Strain and orientation modulated bandgaps and effective masses of phosphorene nanoribbons. Nano Lett 14:4607–4614. https://doi.org/10.1021/nl501658d10.1021/nl501658d ↗
28. Hongxia Z, Ruge Q, Yangyang W et al (2015) Silicene on substrates:a theoretical perspective. Chin Phys B 24:087308. https://doi.org/10.1088/1674-1056/24/8/08730810.1088/1674-1056/24/8/087308 ↗
29. Hussain T, Kaewmaraya T, Chakraborty S, Vovusha H, Amornkitbamrung V, Ahuja R (2018) Defected and functionalized germanene-based nanosensors under sulfur comprising gas exposure. ACS Sensors 3:867–874. https://doi.org/10.1021/acssensors.8b0016710.1021/acssensors.8b00167 ↗
30. Imry Y (1986) Active transmission channels and universal conductance fluctuations. EPL (Europhys Lett) 1:249–256. https://doi.org/10.1209/0295-5075/1/5/00810.1209/0295-5075/1/5/008 ↗
31. Kou L, Frauenheim T, Chen C (2014) Phosphorene as a superior gas sensor: selective adsorption and distinct I − V response. J Phys Chem Lett 5:2675–2681. https://doi.org/10.1021/jz501188k10.1021/jz501188k ↗
32. Krompiewski S, Martinek J, Barnaś J (2002) Interference effects in electronic transport through metallic single-wall carbon nanotubes. Phys Rev B 66:073412. https://doi.org/10.1103/PhysRevB.66.07341210.1103/PhysRevB.66.073412 ↗
33. Kukucska G, Zólyomi V, Koltai J (2019) Resonance Raman spectroscopy of silicene and germanene. J Phys Chem C 123:1995–2008. https://doi.org/10.1021/acs.jpcc.8b1194310.1021/acs.jpcc.8b11943 ↗
34. Li TC, Lu SP (2008) Quantum conductance of graphene nanoribbons with edge defects. Phys Rev B Condens Matter Mater Phys 77:1–8. https://doi.org/10.1103/PhysRevB.77.08540810.1103/PhysRevB.77.085408 ↗
35. Li LL, Peeters FM (2018) Quantum transport in defective phosphorene nanoribbons: effects of atomic vacancies. Phys Rev B 97:1–10. https://doi.org/10.1103/PhysRevB.97.07541410.1103/PhysRevB.97.075414 ↗
36. Li T, Shi QW, Wang X, Chen Q, Hou J, Chen J (2005) Effects of dangling ends on the conductance of side-contacted carbon nanotubes. Phys Rev B Condens Matter Mater Phys 72:3–6. https://doi.org/10.1103/PhysRevB.72.03542210.1103/PhysRevB.72.035422 ↗
37. Li L, Lu SZ, Pan J, Qin Z, Wang YQ, Wang Y, Cao GY, du S, Gao HJ (2014a) Buckled germanene formation on Pt(111). Adv Mater 26:4820–4824. https://doi.org/10.1002/adma.20140090910.1002/adma.201400909 ↗
38. Li L, Yu Y, Ye GJ, Ge Q, Ou X, Wu H, Feng D, Chen XH, Zhang Y (2014b) Black phosphorus field-effect transistors. Nat Nano 9:372–377. https://doi.org/10.1038/nnano.2014.3510.1038/nnano.2014.35 ↗
39. Li W, Yang Y, Zhang G, Zhang Y (2015a) Ultrafast and directional diffusion of lithium in phosphorene for high-performance lithium-ion battery. Nano Lett 15:1691–1697. https://doi.org/10.1021/nl504336h10.1021/nl504336h ↗
40. Li XB, Guo P, Cao TF, Liu H, Lau WM, Liu LM (2015b) Structures, stabilities, and electronic properties of defects in monolayer black phosphorus. Sci Rep 5:1–11. https://doi.org/10.1038/srep1084810.1038/srep10848 ↗
41. Li L, Kim J, Jin C, Ye GJ, Qiu DY, da Jornada FH, Shi Z, Chen L, Zhang Z, Yang F, Watanabe K, Taniguchi T, Ren W, Louie SG, Chen XH, Zhang Y, Wang F (2017) Direct observation of the layer-dependent electronic structure in phosphorene. Nat Nanotechnol 12:21–25. https://doi.org/10.1038/nnano.2016.17110.1038/nnano.2016.171 ↗
42. Lou J, Xu X, Ye PD (2014) Black phosphorus - monolayer MoS2 van der Waals heterojunction p-n diode. ACS Nano 8:8292–8299. https://doi.org/10.1021/nn502738810.1021/nn5027388 ↗
43. Masih Das P, Danda G, Cupo A, Parkin WM, Liang L, Kharche N, Ling X, Huang S, Dresselhaus MS, Meunier V, Drndić M (2016) Controlled sculpture of black phosphorus nanoribbons. ACS Nano 10:5687–5695. https://doi.org/10.1021/acsnano.6b0243510.1021/acsnano.6b02435 ↗
44. Meir Y, Wingreen NS (1992) Landauer formula for the current through an interacting electron region Yigal. Phys Rev Lett 68:2512–2515. https://doi.org/10.1103/PhysRevLett.68.251210.1103/PhysRevLett.68.2512 ↗
45. Monshi MM, Aghaei SM, Calizo I (2017a) Edge functionalized germanene nanoribbons: impact on electronic and magnetic properties. RSC Adv 7:18900–18908. https://doi.org/10.1039/c6ra25083a10.1039/c6ra25083a ↗
46. Monshi MM, Aghaei SM, Calizo I (2017b) Doping and defect-induced germanene: a superior media for sensing H2S, SO2and CO2gas molecules. Surf Sci 665:96–102. https://doi.org/10.1016/j.susc.2017.08.01210.1016/j.susc.2017.08.012 ↗
47. Nardelli MB (1999) Electronic transport in extended systems: application to carbon nanotubes. Phys Rev B Condens Matter Mater Phys 60:7828–7833. https://doi.org/10.1103/PhysRevB.60.782810.1103/PhysRevB.60.7828 ↗
48. Narjes Gorjizadeh AF a YK (2008) The effects of defects on the conductance of graphene nanoribbons. Nanothechnology 20:015201. https://doi.org/10.1088/0957-4484/20/1/01520110.1088/0957-4484/20/1/015201 ↗
49. Novoselov KS, Geim AK, Morozov SV et al (2004) Electric field effect in atomically thin carbon films. Science 306:666–669. https://doi.org/10.1126/science.110289610.1126/science.1102896 ↗
50. Novoselov KS, Fal VI, Colombo L et al (2012) A roadmap for graphene. Nature 490:192–200. https://doi.org/10.1038/nature1145810.1038/nature11458 ↗
51. Padilha JE, Pontes RB (2016) Electronic and transport properties of structural defects in monolayer germanene: an ab initio investigation. Solid State Commun 225:38–43. https://doi.org/10.1016/j.ssc.2015.10.01910.1016/j.ssc.2015.10.019 ↗
52. Peng X, Copple A, Wei Q (2014) Edge effects on the electronic properties of phosphorene nanoribbons. J Appl Phys 116:144301. https://doi.org/10.1063/1.489746110.1063/1.4897461 ↗
53. Roche S, Leconte N, Ortmann F et al (2012) Quantum transport in disordered graphene: a theoretical perspective. Solid State Commun 152:1404–1410. https://doi.org/10.1016/j.ssc.2012.04.03010.1016/j.ssc.2012.04.030 ↗
54. Rudenko AN, Katsnelson MI (2014) Quasiparticle band structure and tight-binding model for single- and bilayer black phosphorus. Phys Rev B 201408:1–5. https://doi.org/10.1103/PhysRevB.89.20140810.1103/PhysRevB.89.201408 ↗
55. Sancho MPL, Sancho JML, Rubio J (1984) Quick iterative scheme for the calculation of transfer matrices : application to MO (100). J Phys F Metal Phys 14:1205–1215. https://doi.org/10.1088/0305-4608/14/5/01610.1088/0305-4608/14/5/016 ↗
56. Tahir M, Zhang QY, Schwingenschlögl U (2016) Floquet edge states in germanene nanoribbons. Sci Rep 6:1–6. https://doi.org/10.1038/srep3182110.1038/srep31821 ↗
57. Tan C, Huang X, Zhang H (2013) Synthesis and applications of graphene-based noble metal nanostructures. Mater Today 16:29–36. https://doi.org/10.1016/j.mattod.2013.01.02110.1016/j.mattod.2013.01.021 ↗
58. Tran V, Soklaski R, Liang Y, Yang L (2014) Layer-controlled band gap and anisotropic excitons in few-layer black phosphorus. Phys Rev B 89:235319. https://doi.org/10.1103/PhysRevB.89.23531910.1103/PhysRevB.89.235319 ↗
59. Wang QH, Kalantar-Zadeh K, Kis A, Coleman JN, Strano MS (2012a) Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. Nat Nanotechnol 7:699–712. https://doi.org/10.1038/nnano.2012.19310.1038/nnano.2012.193 ↗
60. Wang Y, Zheng J, Ni Z, Fei R, Liu Q, Quhe R, Xu C, Zhou J, Gao Z, Lu J (2012b) Half-metallic silicene and germanene nanoribbons: towards high-performance spintronics device. Nano 07:1250037. https://doi.org/10.1142/S179329201250037310.1142/S1793292012500373 ↗
61. Wei H, Yang J (2015) Defects in phosphorene. J Phys Chem C 119:20474–20480. https://doi.org/10.1021/acs.jpcc.5b0607710.1021/acs.jpcc.5b06077 ↗
62. Wu Q, Shen L, Yang M, Cai Y, Huang Z, Feng YP (2015) Electronic and transport properties of phosphorene nanoribbons. Phys Rev B Condens Matter Mater Phys 92:1–9. https://doi.org/10.1103/PhysRevB.92.03543610.1103/PhysRevB.92.035436 ↗
63. Xia F, Wang H, Jia Y (2014a) Rediscovering black phosphorus as an anisotropic layered material for optoelectronics and electronics. Nat Commun 5:4458. https://doi.org/10.1038/ncomms545810.1038/ncomms5458 ↗
64. Xia W, Hu W, Li Z, Yang J (2014b) A first-principles study of gas adsorption on germanene. Phys Chem Chem Phys 16:22495–22498. https://doi.org/10.1039/c4cp03292f10.1039/c4cp03292f ↗
65. Ye M, Quhe R, Zheng J, Ni Z, Wang Y, Yuan Y, Tse G, Shi J, Gao Z, Lu J (2014) Tunable band gap in germanene by surface adsorption. Phys E Low Dimensional Syst Nanostruct 59:60–65. https://doi.org/10.1016/j.physe.2013.12.01610.1016/j.physe.2013.12.016 ↗
66. Zhao J, Liu H, Yu Z et al (2012) Graphene: an emerging electronic material. Nature 490:1–11. https://doi.org/10.1038/nature1145810.1038/nature11458 ↗
67. Zhao S, Kang W, Xue J (2014) The potential application of phosphorene as an anode material in Li-ion batteries. J Mater Chem A 2:19046–19052. https://doi.org/10.1039/C4TA04368E10.1039/C4TA04368E ↗
68. Zhao J, Liu H, Yu Z, Quhe R, Zhou S, Wang Y, Liu CC, Zhong H, Han N, Lu J, Yao Y, Wu K (2016) Progress in materials science rise of silicene : a competitive 2D material. Prog Mater Sci 83:24–151. https://doi.org/10.1016/j.pmatsci.2016.04.00110.1016/j.pmatsci.2016.04.001 ↗