access icon free Effect of tensile strain on the band structure and carrier transport of germanium monosulphide monolayer: a first-principles study

© The Institution of Engineering and Technology
Received 13/10/2017, Accepted 15/01/2018, Published 01/05/2018

The electronic properties of germanium monosulphide (GeS) monolayer under tensile strain were investigated using first-principles calculations. Our computations showed that the band gap of GeS monolayer was tuned from 1.96 to 2.72 eV via uniaxial and biaxial tensile strain in the range of 10%. Besides, two transitions involving indirect to direct and direct to indirect were triggered when GeS monolayer was applied 3.5 and 9% tensile strain in the zigzag direction, however this transition had not happened when the tensile strain was applied in the armchair and biaxial direction. The band gap variations of GeS monolayer with the tensile strain were explained using a bond nature mechanism based on the Heitler–London's exchange energy model. Moreover, upon applying external strain, the acoustic phonon limited carrier mobility of GeS monolayer had an enhancement with more than two orders of magnitude at 300 K, from to . These findings show that strain engineering is an effective way to tune the electronic properties of GeS monolayer and to extend the applications of GeS monolayer in the field of electronics and optoelectronics.

Inspec keywords: semiconductor materials; germanium compounds; bonds (chemical); ab initio calculations; carrier mobility; monolayers; energy gap

Other keywords: GeS; external strain; Heitler-London exchange energy model; bond nature mechanism; first-principles calculations; biaxial tensile strain; band gap; band structure; germanium monosulphide monolayer; indirect-direct-indirect transition; carrier transport; acoustic phonon limited carrier mobility; uniaxial tensile strain; electronic properties

Subjects: Crystal binding; Low-field transport and mobility; piezoresistance (semiconductors/insulators); Ab initio calculations (condensed matter electronic structure); Electrical conductivity of other crystalline inorganic semiconductors; Other semiconductor materials; Electronic structure of crystalline semiconductor compounds and insulators

References

    1. 1)
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    3. 3)
    4. 4)
    5. 5)
    6. 6)
    7. 7)
    8. 8)
    9. 9)
    10. 10)
    11. 11)
    12. 12)
    13. 13)
    14. 14)
    15. 15)
    16. 16)
    17. 17)
    18. 18)
    19. 19)
    20. 20)
    21. 21)
    22. 22)
    23. 23)
    24. 24)
    25. 25)
    26. 26)
    27. 27)
    28. 28)
    29. 29)
    30. 30)
    31. 31)
    32. 32)
    33. 33)
    34. 34)
    35. 35)
    36. 36)
    37. 37)
    38. 38)
http://iet.metastore.ingenta.com/content/journals/10.1049/mnl.2017.0733
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