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Strain-Tunable Electronic and Optical Properties of Monolayer Germanium Monosulfide: Ab-Initio Study

  • P. T. T. Le
  • Chuong V. Nguyen
  • Doan V. ThuanEmail author
  • Tuan V. Vu
  • V. V. Ilyasov
  • N. A. Poklonski
  • Huynh V. Phuc
  • I. V. Ershov
  • G. A. Geguzina
  • Nguyen V. Hieu
  • Bui D. Hoi
  • Ngo X. Cuong
  • Nguyen N. HieuEmail author
Article

Abstract

In the present work, we consider systematically the electronic and optical properties of two-dimensional monolayer germanium monosulfide (GeS) under uniaxial strains along armchair (AC-strain) and zigzag (ZZ-strain) directions. Our calculations show that, at the equilibrium state, the monolayer GeS is a semiconductor with an indirect band gap of 1.82 eV. While monolayer GeS is still an indirect band gap semiconductor under ZZ-strain, an indirect–direct energy gap transition can be found in the monolayer GeS when the AC-strain is applied. The optical spectra of the monolayer GeS have strong anisotropy in the investigated energy range from 0 eV to 8 eV. Based on optical properties, we believe that the monolayer GeS is a potential candidate for applications in energy conversion and optoelectronic technologies.

Keywords

Monolayer GeS band gap optical properties strain engineering first-principles calculations 

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Notes

Acknowledgments

This research is funded by the Vietnam National Foundation for Science and Technology Development (NAFOSTED) under Grant Number 103.01-2017.309 and the Belarusian Scientific Program “Convergence”.

Conflict of interest

The authors declare that they have no conflict of interest.

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Copyright information

© The Minerals, Metals & Materials Society 2019

Authors and Affiliations

  • P. T. T. Le
    • 1
    • 2
  • Chuong V. Nguyen
    • 3
  • Doan V. Thuan
    • 4
    • 5
    Email author
  • Tuan V. Vu
    • 6
    • 7
  • V. V. Ilyasov
    • 8
  • N. A. Poklonski
    • 9
  • Huynh V. Phuc
    • 10
  • I. V. Ershov
    • 8
  • G. A. Geguzina
    • 11
  • Nguyen V. Hieu
    • 12
  • Bui D. Hoi
    • 13
  • Ngo X. Cuong
    • 14
  • Nguyen N. Hieu
    • 15
    Email author
  1. 1.Laboratory of Magnetism and Magnetic Materials, Advanced Institute of Materials ScienceTon Duc Thang UniversityHo Chi Minh CityViet Nam
  2. 2.Faculty of Applied SciencesTon Duc Thang UniversityHo Chi Minh CityViet Nam
  3. 3.Department of Materials Science and EngineeringLe Quy Don Technical UniversityHa NoiViet Nam
  4. 4.NTT Hi-Tech InstituteNguyen Tat Thanh UniversityHo Chi Minh CityViet Nam
  5. 5.Center of Excellence for Green Energy and Environmental Nanomaterials (CE@GrEEN)Nguyen Tat Thanh UniversityHo Chi Minh CityViet Nam
  6. 6.Division of Computational Physics, Institute for Computational ScienceTon Duc Thang UniversityHo Chi Minh CityViet Nam
  7. 7.Faculty of Electrical and Electronics EngineeringTon Duc Thang UniversityHo Chi Minh CityViet Nam
  8. 8.Department of PhysicsDon State Technical UniversityRostov on DonRussia
  9. 9.Department of PhysicsBelarusian State UniversityMinskBelarus
  10. 10.Division of Theoretical PhysicsDong Thap UniversityDong ThapViet Nam
  11. 11.Institute of PhysicsSouthern Federal UniversityRostov on DonRussia
  12. 12.Department of Physics, University of EducationThe University of Da NangDa NangViet Nam
  13. 13.Department of Physics, University of EducationHue UniversityHueViet Nam
  14. 14.Department of Electrical Engineering, Quang Tri BranchHue UniversityQuang TriViet Nam
  15. 15.Institute of Research and DevelopmentDuy Tan UniversityDa NangViet Nam

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