Indian Journal of Pure and Applied Physics

Open Access Open Access  Restricted Access Subscription Access

Tuning of Magnetism and Band Gap in 2D-Chromia via Strain Engineering


Affiliations
1 Department of Physics, Panjab University, Chandigarh 160 014, India
2 Department of Physics, Daulat Ram College, Delhi 110 007, India
3 Department of Physics, Guru Jambheshwar University of Science & Technology, Hisar, Haryana 125 001, India
4 Renewable Energy Laboratory, School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110 067, India
 

The area of intrinsic two-dimensional (2D) materials is spreading widely day by day due to their easily availability and interesting applications. As a newly exfoliated 2D material from bulk Cr2O3 mineral, 2D-Chromia is most far ultrathin magnetic indirect band gap semiconductor with low Curie Temperature (TC). For the present work, we have carried out the detailed structural analysis of 2D-Chromia by prefacing strain via means of density functional theory (DFT). 2D-Chromia in pristine form comes out to ferromagnetic with considerable total spin magnetic moment of 12 μB per unit cell and large band gap (0.72/3.71 eV in majority/minority spin channel). But the presence of low TC and large band gap limits its applications. Thus, in present work, we have checked the dependence of magnetic state and band gap on tensile and compressive strains. Our results indicate that band gap depends strongly on both the strains but magnetic ground state remains unaffected on applying strain. These findings summarize that the resulting 2D-Chromia under study has broad application prospective in spintronics, transistors, and memory-based devices.

Keywords

DFT; Ferromagnetism; Spintronics.
User
Notifications
Font Size

  • Neto A C, Guinea F, Peres N M, Novoselov K S & Geim A K, Rev Mod Phys, 81 (2009) 109.

  • Hu X, Bjorkman T, Lipsanen H, Sun L & Krasheninnikov A V, J Phys Chem Lett, 6 (2015) 3263.

  • Duan X, Wang C, Pan A, Yu R & Duan X, Chem Soc Rev, 44 (2015) 8859.

  • Hu X, Wang Y, Shen X, Krasheninnikov A V, Sun L & Chen Z, 2D Materials, 5 (2018) 031012.

  • Balandin A A, Ghosh S, Bao W, Calizo I, Teweldebrha D, Miao F & Lau C N, Nano Lett, 8 (2008) 902.

  • Mermin N D & Wagner H, Phys Rev Lett, 17 (1966) 1133.

  • Burch K S, Mandrus D & Park J G, Nature, 563 (2018) 47.

  • Gong C & Zhang X, Science, 363 (2019) 706.

  • Balan A P, Radhakrishnan S, Woellner C F, Sinha S K, Deng L, Reyes C D L & Kochat V, Nature Nanotechnol, 13 (2018) 602.

  • Bertolazzi S, Brivio J & Kis A, ACS Nano, 5 (2011) 9703.

  • Chen D, Zhang G, Sun W, Li J, Cheng Z & Wang Y, Phys Chem Chem Phys, 21 (2019) 12301.

  • Singla R, Hackett T A, Kumar S, Sharma J & Kashyap M K, Nanoscale Adv, 2 (2020) 5890.

  • Singla R & Kashyap M K, Indian J Phys, 96 (2022) 1963.

  • Singla R, Singla R, Kumar S, Hackett T A & Kashyap M K, Mater Adv, (2023).

  • Kresse G & Furthmuller, J Phys Rev. B: Condens. Matter Mater Phys, 54 (1996) 11169.

  • Kresse G & Joubert D, Phys Rev B: Condens Matter Mater Phys, 59 (1999) 1758.

  • Perdew J P, Burke K & Ernzerhof M, Phys Rev Lett, 77 (1996) 3865.


Abstract Views: 91

PDF Views: 46




  • Tuning of Magnetism and Band Gap in 2D-Chromia via Strain Engineering

Abstract Views: 91  |  PDF Views: 46

Authors

Rahul Singla
Department of Physics, Panjab University, Chandigarh 160 014, India
Renu Singla
Department of Physics, Daulat Ram College, Delhi 110 007, India
Pankaj Kumar
Department of Physics, Guru Jambheshwar University of Science & Technology, Hisar, Haryana 125 001, India
Yogesh Chauhan
Renewable Energy Laboratory, School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110 067, India
G. S. S. Saini
Department of Physics, Panjab University, Chandigarh 160 014, India
Manish K. Kashyap
Renewable Energy Laboratory, School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110 067, India

Abstract


The area of intrinsic two-dimensional (2D) materials is spreading widely day by day due to their easily availability and interesting applications. As a newly exfoliated 2D material from bulk Cr2O3 mineral, 2D-Chromia is most far ultrathin magnetic indirect band gap semiconductor with low Curie Temperature (TC). For the present work, we have carried out the detailed structural analysis of 2D-Chromia by prefacing strain via means of density functional theory (DFT). 2D-Chromia in pristine form comes out to ferromagnetic with considerable total spin magnetic moment of 12 μB per unit cell and large band gap (0.72/3.71 eV in majority/minority spin channel). But the presence of low TC and large band gap limits its applications. Thus, in present work, we have checked the dependence of magnetic state and band gap on tensile and compressive strains. Our results indicate that band gap depends strongly on both the strains but magnetic ground state remains unaffected on applying strain. These findings summarize that the resulting 2D-Chromia under study has broad application prospective in spintronics, transistors, and memory-based devices.

Keywords


DFT; Ferromagnetism; Spintronics.

References