A first principles study of p-type doping in two dimensional GaN.

Phys Chem Chem Phys

School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006, China.

Published: September 2021

AI Article Synopsis

  • Low-dimensional GaN materials struggle with asymmetric doping, making it easier to achieve n-type than p-type conductivity.
  • This study explores the structure and electronic properties of a two-dimensional graphene-like gallium nitride (g-GaN) monolayer, investigating the effects of various elements (In, Mg, Zn) as dopants.
  • The findings suggest that using Mg as a substitute for Ga is more effective for achieving p-type conductivity, particularly in nitrogen-rich conditions, which is crucial for developing high-performance optoelectronic devices.

Article Abstract

Similar to most semiconductors, low-dimensional GaN materials also have the problem of asymmetric doping, that is, it is quite difficult to form p-type conductivity compared to n-type conductivity. Here, we have discussed the geometry, structure, and electronic defect properties of a two-dimensional graphene-like gallium nitride (g-GaN) monolayer belonging to the group III-V compounds, doped with different elements (In, Mg, Zn) at the Ga site. Based on first principles calculations, we found that substituting Ga (low concentration impurities) with Mg would be a better choice for fabricating a p-type doping semiconductor under N-rich conditions, which is essential for understanding the properties of impurity defects and intrinsic defects in the g-GaN monolayer (using the "transfer to real state" model). Moreover, the g-GaN monolayer is dynamically stable and can remain stable even in high-temperature conditions. This research provides insight for increasing the hole concentration and preparing potential high-performance optoelectronic devices using low-dimensional GaN materials.

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http://dx.doi.org/10.1039/d1cp02904eDOI Listing

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Article Synopsis
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  • The findings suggest that using Mg as a substitute for Ga is more effective for achieving p-type conductivity, particularly in nitrogen-rich conditions, which is crucial for developing high-performance optoelectronic devices.
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