Abstract
Three direct semiconductor materials and one indirect semiconductor material, Pm−3n XN (X = B, Al, Ga, In), are investigated in our work, employing density functional theory (DFT), where the structural properties, stability, elastic properties, elastic anisotropy properties and electronic properties are included. The shear modulus G and bulk modulus B of Pm−3n BN are 290 GPa and 244 GPa, respectively, which are slightly less than the values of B and G for c-BN and Pnma BN, while they are larger than those of C64 in the I41/amd phase. The shear modulus of Pm−3n BN is the greatest, and the shear modulus of C64 in the I41/amd phase is the smallest. The Debye temperatures of BN, AlN, GaN and InN are 1571, 793, 515 and 242 K, respectively, using the elastic modulus formula. AlN has the largest anisotropy in the Young’s modulus, shear modulus, and Poisson‘s ratio; BN has the smallest elastic anisotropy in G; and InN has the smallest elastic anisotropy in the Poisson’s ratio. Pm−3n BN, AlN, GaN and InN have the smallest elastic anisotropy along the (111) direction, and the elastic anisotropy of the E in the (100) (010) (001) planes and in the (011) (101) (110) planes is the same. The shear modulus and Poisson’s ratio of BN, AlN, GaN and InN in the Pm−3n phase in the (001), (010), (100), (111), (101), (110), and (011) planes are the same. In addition, AlN, GaN and InN all have direct band-gaps and can be used as a semiconductor within the HSE06 hybrid functional.
Highlights
In the 1950s, Germanium was used in low-voltage, low-frequency, medium power transistors and photodetectors in the bright stage
There were large short plates in the high-temperature and -radiation resistance of germanium semiconductor devices, so, in the 1960s, germanium gave up its dominant position to silicon
Third-generation semiconductor materials have many ascendancies, such as a broad band gap, large thermal conductivity, great electron saturation rate, huge breakdown electric field, and a strong ability to resist radiation, so they have a wide range of applications in some blue, green, and violet light-emitting diodes and semiconductor lasers
Summary
In the 1950s, Germanium was used in low-voltage, low-frequency, medium power transistors and photodetectors in the bright stage. There were large short plates in the high-temperature and -radiation resistance of germanium semiconductor devices, so, in the 1960s, germanium gave up its dominant position to silicon. Silicon diffusely serves as a semiconductor material in industry and is mainly used in data computing and other fields. With the increasing demands of science and technology, the defects in the slow transmission speed and single function of silicon have been exposed, so compound semiconductor materials have emerged as required. Third-generation semiconductor materials have many ascendancies, such as a broad band gap, large thermal conductivity, great electron saturation rate, huge breakdown electric field, and a strong ability to resist radiation, so they have a wide range of applications in some blue, green, and violet light-emitting diodes and semiconductor lasers. GaN has a faster speed and higher breakdown voltage compared to silicon
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