Abstract
AlN is one of the third-generation semiconductor materials with wide application prospects due to its 6.2 eV band gap. In the application of semiconductor deep ultraviolet lasers, progress is slow due to the difficulty in obtaining p-type AlN with good performance. In this paper, the commonly used way of Mg directly as AlN dopant is abandoned, the inhibition effect of the B component on self-compensation of AlN crystal was studied. The improvement of self-compensation performance of AlN crystal by B component is studied by first principles calculation. The results show that the addition of B component can increase the hole concentration of AlN, which is conducive to the formation of p-type AlN.
Highlights
AlN is one of the third-generation semiconductor materials with wide application prospects due to its 6.2 eV band gap
It can be seen that BN crystal is an indirect band gap, and at the G-point the Fermi energy level is closer to the top of the valence band
AlN crystal has a direct band gap, and the Fermi energy level is in the middle of the conduction band and valence band, and is slightly close to the conduction band, showing n-type characteristics
Summary
AlN is one of the third-generation semiconductor materials with wide application prospects due to its 6.2 eV band gap. AlN plays a significant role in the development of solid-state ultraviolet light sources for light-emitting diodes and laser diodes For such applications, both conductive n-and p-type AlN materials are required. The p-type doping of III-nitride semiconductors is achieved by substituting dopants for the primary atom, which have fewer valence electrons than the primary a tom[5]. Recent reports on the preparation of p-type AlN by Mg doping show that these empty points in the impurity band have a very high activation energy of about 600 meV and a low m obility[11], which makes Mg-doped AlN ineffective in practical applications[12,13]. By first-principles calculation, we try to prove that substituting Al atom with B atom (electronegativity is higher than Al atom) can increase the hole concentration, restrain the self-compensation effect
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