journal article·2025-12

Tuneable electronic, optical and thermoelectric properties of SZrYN2 (Y = Ge, Sn) monolayer via biaxial strain

Fawad Khan, Iftikhar Ahmad, Muhammad Ilyas, Nawal Fatima, Muhammad Bilal, Dur e Shahwar Zahra, Muhammad Afrasiyab

Applied Physics A· Volume 131· Issue 12
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OpenAlex topics: 2D Materials and Applications · Machine Learning in Materials Science · MXene and MAX Phase Materials

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References (45)

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1. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, A.A. Firsov, Science 306, 666 (2004)10.1126/science.1102896 ↗
2. D. Singh, S.K. Gupta, Y. Sonvane, I. Lukaˇcevi´c, J. Mater. Chem. C 4, 6386–6390 (2016)10.1039/C6TC01913G ↗
3. J. Pang, A. Bachmatiuk, Y. Yin, B. Trzebicka, L. Zhao, L. Fu, R.G. Mendes, T. Gemming, Z. Liu, M.H. Rummeli, Adv. Energy Mater. 8, 1702093 (2017)10.1002/aenm.201702093 ↗
4. Y. Gogotsi, B. Anasori, ACS Nano 13, 8491–8494 (2019)10.1021/acsnano.9b06394 ↗
5. F. Song, L. Bai, A. Moysiadou, S. Lee, C. Hu, L. Liardet, X. Hu, J. Am. Chem. Soc. 140, 7748–7759 (2018)10.1021/jacs.8b04546 ↗
6. F. Yang, A.O. Elnabawy, R. Schimmenti, P. Song, J. Wang, Z. Peng, S. Yao, R. Deng, S. Song, Y. Lin, M. Mavrikakis, W. Xu, Nat. Commun. 11, 1088 (2020)10.1038/s41467-020-14914-9 ↗
7. G. Giuffredi, T. Asset, Y. Liu, P. Atanassov, F.D. Fonzo, ACS Mater. Au. 1, 6–36 (2021)10.1021/acsmaterialsau.1c00006 ↗
8. Y. Dahiya, M. Hariram, M. Kumar, A. Jain, D. Sarkar, Coord. Chem. Rev. 451, 214265 (2022)10.1016/j.ccr.2021.214265 ↗
9. A.C. Riis-Jensen, T. Deilmann, T. Olsen, K.S. Thygesen, ACS Nano 13, 13354–13364 (2019)10.1021/acsnano.9b06698 ↗
10. T. Tan, X. Jiang, C. Wang, B. Yao, H. Zhang, Adv. Sci. 7, 2000058 (2020)10.1002/advs.202000058 ↗
11. M. Zhao, Y. Hao, C. Zhang, R. Zhai, B. Liu, W. Liu, C. Wang, S.H.M. Jafri, A. Razaq, R. Papadakis, J. Liu, X. Ye, X. Zheng, H. Li, Crystals, 2022, 12, 108710.3390/cryst12081087 ↗
12. M. Dragoman, A. Dinescu, D. Dragoman, Phys. Status Solidi A 216, 1800724 (2019)10.1002/pssa.201800724 ↗
13. Z. Liu, H. Wang, J. Sun, R. Sun, Z.F. Wang, J. Yang, Nanoscale 10, 16169–16177 (2018)10.1039/C8NR05561K ↗
14. F. Khan, H. Din, S. Khan, G. Rehman, M. Bilal, C.V. Nguyen, I. Ahmad, L.-Y. Gan, B. Amin, J. Phys. Chem. Solids 126, 304–309 (2019)10.1016/j.jpcs.2018.11.021 ↗
15. D. Tyagi, H. Wang, W. Huang, L. Hu, Y. Tang, Z. Guo, Z. Ouyang, H. Zhang, Nanoscale 12, 3535–3559 (2020)10.1039/C9NR10178K ↗
16. F.R. Fan, R. Wang, H. Zhang, W. Wu, Chem. Soc. Rev. 50, 10983–11031 (2021)10.1039/C9CS00821G ↗
17. Y. Zhu, L. Peng, Z. Fang, C. Yan, X. Zhang, G. Yu, Adv. Mater. 30, 1706347 (2018)10.1002/adma.201706347 ↗
18. L. Zhang, J. Yu, M. Yang, Q. Xie, H. Peng, Z. Liu, Nat. Commun. 4, 1443 (2013)10.1038/ncomms2464 ↗
19. J. Zhang, S. Jia, I. Kholmanov, L. Dong, D. Er, W. Chen, H. Guo, Z. Jin, V.B. Shenoy, L. Shi, J. Lou, ACS Nano 11, 8192–8198 (2017)10.1021/acsnano.7b03186 ↗
20. Y.-C. Lin, C. Liu, Y. Yu, E. Zarkadoula, M. Yoon, A.A. Puretzky, L. Liang, X. Kong, Y. Gu, A. Strasser, H.M. Meyer, M. Lorenz, M.F. Chisholm, I.N. Ivanov, C.M. Rouleau, G. Duscher, K. Xiao, D.B. Geohegan, ACS Nano 14, 3896–3906 (2020)10.1021/acsnano.9b10196 ↗
21. H. Yao, C. Zhang, Q. Wang, J. Li, Y. Yu, F. Xu, B. Wang, Y. Wei, Nanomaterials 11, 559 (2021)10.3390/nano11030559 ↗
22. X. Liu, H. Zhang, Z. Yang, Z. Zhang, X. Fan, H. Liu, Phys. Lett. A 420, 127751 (2021)10.1016/j.physleta.2021.127751 ↗
23. Y. Gao, J. Liao, H. Wang, Y. Wu, Y. Li, K. Wang, C. Ma, S. Gong, T. Wang, X. Dong, Z. Jiao, Y. An, Phys. Rev. Appl. 18, 034033 (2022)10.1103/PhysRevApplied.18.034033 ↗
24. H. Zhong, W. Xiong, P. Lv, J. Yu, S. Yuan, Phys. Rev. B 103, 085124 (2021)
25. W. Zhang, W. Yang, Y. Liu, Z. Liu, F. Zhang, Front. Phys. 17, 63509 (2022)10.1007/s11467-022-1199-5 ↗
26. N. Mwankemwa, H.-E. Wang, T. Zhu, Q. Fan, F. Zhang, W. Zhang, Results Phys. 37, 105549 (2022)10.1016/j.rinp.2022.105549 ↗
27. P. Giannozzi et al., QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys. Condens. Matter 21(39), 395502 (2009). https://doi.org/10.1088/0953-8984/21/39/39550210.1088/0953-8984/21/39/395502 ↗
28. A.M. Rappe, K.M. Rabe, E. Kaxiras, J.D. Joannopoulos, Optimized pseudopotentials. Phys. Rev. B 41(2), 1227–1230 (1990). https://doi.org/10.1103/PhysRevB.41.122710.1103/PhysRevB.41.1227 ↗
29. Z. Wu, R.E. Cohen, More accurate generalized gradient approximation for solids. Phys. Rev. B 73(23), 235116 (2006). https://doi.org/10.1103/PhysRevB.73.23511610.1103/PhysRevB.73.235116 ↗
30. M. Ernzerhof, G.E. Scuseria, Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional. J. Chem. Phys. 110(11), 5029–5036 (1999). https://doi.org/10.1063/1.47840110.1063/1.478401 ↗
31. A.H. MacDonald, W.E. Picket, D.D. Koelling, A linearised relativistic augmented-plane-wave method utilising approximate pure spin basis functions. Journal of Physics C: Solid State Physics 13(14), 2675–2683 (1980). https://doi.org/10.1088/0022-3719/13/14/00910.1088/0022-3719/13/14/009 ↗
32. J.L.P. Hughes, J.E. Sipe, Calculation of second-order optical response in semiconductors. Phys. Rev. B 53(16), 10751–10763 (1996). https://doi.org/10.1103/PhysRevB.53.1075110.1103/PhysRevB.53.10751 ↗
33. G.K.H. Madsen, D.J. Singh, BoltzTraP. A code for calculating band-structure dependent quantities, Comput Phys Commun, vol. 175, no. 1, pp. 67–71, Jul. 2006, https://doi.org/10.1016/j.cpc.2006.03.00710.1016/j.cpc.2006.03.007 ↗
34. T. Graf, G.H. Fecher, J. Barth, J. Winterlik, C. Felser, Electronic structure and transport properties of the heusler compound Co 2 tial. J. Phys. D Appl. Phys. 42(8), 084003 (Apr. 2009). https://doi.org/10.1088/0022-3727/42/8/08400310.1088/0022-3727/42/8/084003 ↗
35. S. Yang, Y. Chen, C. Jiang, Strain engineering of < scp > two-dimensional materials: Methods, properties, and applications, InfoMat, vol. 3, no. 4, pp. 397–420, Apr. 2021, https://doi.org/10.1002/inf2.1217710.1002/inf2.12177 ↗
36. A.M. Dehkordi, An experimental investigation towards improvement of thermoelectric properties of strontium titanate ceramics. Clemson Univ., 2014
37. F. Khan, N. Fatima, S.A. Alsalhi, A.A. Khan, Strain-induced electronic, optical and thermoelectric properties of SiC-CrX2 (X = S, Se) heterostructures. Appl. Phys. A 130(6), 421 (2024)10.1007/s00339-024-07583-8 ↗
38. Khan, F., Ilyas, M., Khan, B., Ullah, R., Iqbal, Z., Abdullah, Iqbal, A. (2024).Unveiling the strain induced electronic optical and thermoelectric properties of monolayer SMoSiN2 and SeMoSiN2. Applied Physics A, 130(11), 830.10.1007/s00339-024-07986-7 ↗
39. F. Khan, M. Gul, M. Ilyas, S.Z.A. Shah, M. Essid, M. Abboud, Influence of biaxial strain on the structural, electronic, optical and thermoelectric properties of the AMoGeN2 (A = S, Se) monolayer: a first-principles investigation. Mater. Sci. Eng. B Solid-State Mater. Adv. Technol. 317, 118216 (2025)10.1016/j.mseb.2025.118216 ↗
40. Khan, F., Ilyas, M., Idrees, M., Kaleem, R., Gul, F., Alghamdi, M. M., … Shah, S.Z. A. (2025). First-Principles Investigation of Phononic, Electronic, Optical, and Thermoelectric Properties of ABSiP2 (A = S, Se and B = Mo, W) Monolayers. Journal of Inorganic and Organometallic Polymers and Materials, 1–13.10.1007/s10904-025-03851-z ↗
41. H. Ali, M. Farooq, F. Khan, S. Ahmad, B. Amin, S. Azam, A.I. Bashir, Density functional theory-based quantum-computational analysis on the strain-assisted phononic, electronic, photocatalytic properties and thermoelectric performance of monolayer Janus SnSSe. Appl. Phys. A 128(7), 553 (2022)10.1007/s00339-022-05690-y ↗
42. Khan, F., Ahmad, I., Amin, B., Idrees, M., Ahmad, S., Nasir, T., … Shehzeen, N. (2023).Density functional theory-based quantum-computational analysis on the strain-assisted electronic and photocatalytic properties of BX-MSSe (X = P, As and M = Mo, W) heterostructures.Applied Physics A, 129(3), 192.10.1007/s00339-023-06420-8 ↗
43. S. Riaz, M. Gul, F. Khan, I. Ahmad, M. Ilyas, Effect of strain and stacking on electronic structure, optical and photocatalytic performance of monolayer XO2 (X = Ti, Ni and Ge). Appl. Phys. A 129(8), 589 (2023)10.1007/s00339-023-06865-x ↗
44. A. Patel, D. Singh, Y. Sonvane, P.B. Thakor, R. Ahuja, High thermoelectric performance in two-dimensional Janus monolayer material WS-X (X = Se and Te). ACS Appl. Mater. Interfaces. 12(41), 46212–46219 (2020)10.1021/acsami.0c13960 ↗
45. B. Ali, M. Idrees, T.A. Alrebdi, B. Amin, Q. Alam, Optical and thermoelectric properties of new Janus ZnMN 2 (M = Ge, Sn, Si and N = S, Se, Te) monolayers: a first-principles study. Nanoscale Adv. 6(2), 680–689 (2024)10.1039/D3NA00905J ↗