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

ABSTRACT: 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.

SUBMITTER: Zhang L

PROVIDER: S-EPMC6124064 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature

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

Zhang Libin L Yan Han H Zhu Guo G Liu Sheng S Gan Zhiyin Z

Royal Society open science 20180815 8

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 ...[more]

PMID: 30225060

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Project description:The use of micro-/nanoelectromechanical resonators for the room temperature detection of electromagnetic radiation at infrared frequencies has recently been investigated, showing thermal detection capabilities that could potentially outperform conventional microbolometers. The scaling of the device thickness in the nanometer range and the achievement of high infrared absorption in such a subwavelength thickness, without sacrificing the electromechanical performance, are the two key challenges for the implementation of fast, high-resolution micro-/nanoelectromechanical resonant infrared detectors. In this paper, we show that by using a virtually massless, high-electrical-conductivity, and transparent graphene electrode, floating at the van der Waals separation of a few angstroms from a piezoelectric aluminum nitride nanoplate, it is possible to implement ultrathin (460 nm) piezoelectric nanomechanical resonant structures with improved electromechanical performance (>50% improved frequency×quality factor) and infrared detection capabilities (>100× improved infrared absorptance) compared with metal-electrode counterparts, despite their reduced volumes. The intrinsic infrared absorption capabilities of a submicron thin graphene-aluminum nitride plate backed with a metal electrode are investigated for the first time and exploited for the first experimental demonstration of a piezoelectric nanoelectromechanical resonant thermal detector with enhanced infrared absorptance in a reduced volume. Moreover, the combination of electromagnetic and piezoelectric resonances provided by the same graphene-aluminum nitride-metal stack allows the proposed device to selectively detect short-wavelength infrared radiation (by tailoring the thickness of aluminum nitride) with unprecedented electromechanical performance and thermal capabilities. These attributes potentially lead to the development of uncooled infrared detectors suitable for the implementation of high performance, miniaturized and power-efficient multispectral infrared imaging systems.

Dataset Information

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

Publications

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

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