Homoepitaxial growth of non-polar AlN crystals using molecular dynamics simulations

Leathersich, Jeff; Suvarna, Puneet; Tungare, Mihir

doi:10.1016/j.susc.2013.07.017

Cited by 12 publications

(6 citation statements)

References 22 publications

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“…Although c-plane is a critical plane for growing AlN [ 23 ], there are a few studies concerning the corresponding mechanism of polar c-plane AlN. Similar theoretical studies have been reported on the deposition of GaN [ 24 ] and non-polar AlN [ 25 ]. Atomic-scale simulation of the growth and its dependency on various deposition conditions will facilitate effective understanding of the c-plane AlN growth process.…”

Section: Introductionmentioning

confidence: 73%

“…The substrate is divided into three groups: two pairs of closely spaced Al, and N planes along the z direction at the bottom are fixed to prevent the moving of the substrate due to the hitting of Al and N atoms during the deposition, which is called the fix group. The middle eight pairs of atoms make up the thermal control group, where the canonical (NVT) ensemble is used to perform time integration on Nose–Hoover style non-Hamiltonian equations of motion to update the positions and velocities of the atoms to get the prescribed substrate temperature [ 25 ]. The uppermost two pairs of atoms form the free group in which the atoms are entirely free to interact and transmit energy with the deposited atoms.…”

Section: Model and Methodsmentioning

confidence: 99%

“…Such thermalized fluxes are analogous to those of a molecular beam epitaxy or a high pressure sputtering process. The three-body Tersoff potential is applied to describe the atomic interactions between atoms, and its reliability and application have already been proved [ 25 , 27 , 29 ].

Figure 1.…”

Section: Model and Methodsmentioning

confidence: 99%

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Molecular dynamics simulation of aluminum nitride deposition: temperature and N : Al ratio effects

et al. 2018

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Heteroepitaxial growth of aluminum nitride (AIN) has been explored by experiments, but the corresponding growth mechanism is still unrevealed. Here, we use molecular dynamics simulations to study effects of temperature and N : Al flux ratio on deposited AlN. When the temperature increases from 1000 K to 2000 K with an N : Al flux ratio of 2.0, the growth rate of the AlN film decreases. The crystallinity of the deposited AlN is distinctly improved as the temperature increases from 1000 K to 1800 K and it becomes saturated between 1800 K and 2000 K. The crystallinity of the deposited film at 1800 K increases with an increase in the N : Al flux ratio from 0.8 to 2.4, and this degraded a little at an N : Al flux ratio of 2.8. In addition, stoichiometry is closely related to crystallinity of deposited films. Film with good crystallinity is connected with a near 50% N fraction. Furthermore, the average mean biaxial stress and mean normal stress at 1800 K with N : Al flux ratios of 2.0, 2.4 and 2.8 are calculated, indicating that the deposited film with lowest stress has the best crystal quality and the defects appear where stresses occur.

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Section: Introductionmentioning

confidence: 73%

Section: Model and Methodsmentioning

confidence: 99%

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Molecular dynamics simulation of aluminum nitride deposition: temperature and N : Al ratio effects

et al. 2018

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“…These optoelectronic devices are generally grown along AlN c-axis [2,3]. However, the strong spontaneous and piezoelectric polarization along c-axis will weaken the recombination of carriers in the quantum wells [4], which in turn decrease the luminescence efficiency of devices. The use of semi-polar substrates and epitaxial layers [5][6][7][8][9], such as (10)(11), (10)(11)(12) and (10-13) AlN, can effectively solve this problem since the polarization field is greatly weakened [10,11].…”

Section: Introductionmentioning

confidence: 99%

Effect of High-Temperature Nitridation and Buffer Layer on Semi-Polar (10–13) AlN Grown on Sapphire by HVPE

Zhang

Zhao

et al. 2021

Micromachines

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We have investigated the effect of high-temperature nitridation and buffer layer on the semi-polar aluminum nitride (AlN) films grown on sapphire by hydride vapor phase epitaxy (HVPE). It is found the high-temperature nitridation and buffer layer at 1300 °C are favorable for the formation of single (10–13) AlN film. Furthermore, the compressive stress of the (10–13) single-oriented AlN film is smaller than polycrystalline samples which have the low-temperature nitridation layer and buffer layer. On the one hand, the improvement of (10–13) AlN crystalline quality is possibly due to the high-temperature nitridation that promotes the coalescence of crystal grains. On the other hand, as the temperature of nitridation and buffer layer increases, the contents of N-Al-O and Al-O bonds in the AlN film are significantly reduced, resulting in an increase in the proportion of Al-N bonds.

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“…Recently, MD simulation has been extensively employed to systematically investigate the growth of III-V binary [18,19] and ternary compounds [20,21]. The growth of GaN on polar surfaces [18] and AlN on non-polar surfaces [19] were investigated; additionally, the growth of ternary InGaN film on polar [20] and non-polar [21] GaN surfaces was also discussed. The formation of defects on these planes was explored.…”

Section: Introductionmentioning

confidence: 99%

Effect of Substrate Surface on Deposition of AlGaN: A Molecular Dynamics Simulation

et al. 2018

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The growth of AlGaN has been extensively studied, but corresponding research related to the effect of AlN substrate surface has rarely been reported in literature. In this article, the effects of AlN substrate surface on deposition of AlGaN films were investigated by molecular dynamics (MD) simulations. (0001) Al-terminated and 0001 N-terminated AlN were considered as substrates. The quality of surface morphology and atomic scale structure of deposited AlGaN film are discussed in detail. The results show that the surface morphology and crystal quality of AlGaN film grown on (0001) Al-terminated AlN surface are better than for that grown on 0001 N-terminated AlN surface under various growing temperatures and Al/Ga injection ratios between Al and Ga. This can be attributed to the higher mobility of Al and Ga adatoms on the (0001) Al-terminated AlN surface. These findings can provide guidance for the preparation of high-quality AlGaN thin films on AlN substrate.

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Homoepitaxial growth of non-polar AlN crystals using molecular dynamics simulations

Cited by 12 publications

References 22 publications

Molecular dynamics simulation of aluminum nitride deposition: temperature and N : Al ratio effects

Molecular dynamics simulation of aluminum nitride deposition: temperature and N : Al ratio effects

Effect of High-Temperature Nitridation and Buffer Layer on Semi-Polar (10–13) AlN Grown on Sapphire by HVPE

Effect of Substrate Surface on Deposition of AlGaN: A Molecular Dynamics Simulation

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