Strain effect on the phonon transport properties of hydrogenated 2D GaN

Sun, Guoqing; Cheng, Yanhua; Ma, Jinlong; Xu, Dongwei; Luo, Xiaobing

doi:10.1016/j.vacuum.2023.111808

Cited by 8 publications

(4 citation statements)

References 55 publications

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“…The vibration intensity of the specimen goes up as the rising of sizes leads to part of the stress from the cutting tool transfer through the sample. 35) Figure 4 shows the snapshot diagram of the von Mises stress for different sizes (L × H) of monolayer Ti 3 C 2 O 2 at an indentation velocity of 5.0 m s −1 and a temperature of 0.3 K. The result clearly expresses that the main difference between titanium carbide and the added oxygen end is that the stress distribution is quickly transmitted to the entire substrate in the second column for all the sizes during the indentation process. The appearance and continuous change of zone with higher stress lead to the oscillation of the force-displacement curve, as shown in Fig.…”

Section: Methodsmentioning

confidence: 99%

Comparing mechanism response and thermal conductivity of Ti₃C₂ and Ti₃C₂O₂

Tseng,

Bui,

Lai

et al. 2024

Jpn. J. Appl. Phys.

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This study uses molecular dynamics to investigate the effect of various temperatures and sample sizes on the mechanical mechanism and thermal conductivity of Ti3C2 and Ti3C2O2 Mxenes. The size of the Mxenes decides the severity of the crack and the von Mises stress clustering. The elastic phase trend of Ti3C2 materials in different sizes follows Hooke's law, while the complex elastic trend is for the Ti3C2O2 models. The material toughness of Ti3C2 is relatively high, and the material's response to the force is relatively stable and linear during the process of being subjected to pressure. The Ti3C2O2 Mxene presents a low toughness, low stability, and easier breakage during stress due to the complex structure and the formation of anatase and rutile TiO2 phases. The thermal conductivity decreases when the temperature increases or the material sizes decrease for both materials. Notably, Ti3C2 shows superior thermal conductivity in comparison to Ti3C2O2 Mxene.

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Section: Methodsmentioning

confidence: 99%

Comparing mechanism response and thermal conductivity of Ti₃C₂ and Ti₃C₂O₂

Tseng,

Bui,

Lai

et al. 2024

Jpn. J. Appl. Phys.

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“…The thickness of 2D GaN is defined to be 3.74 in this work, which is the van der Waals diameter of Ga. In the framework of BTE, thermal conductivity tensor can be written as [24]  ( ) ( )…”

Section: Computational Detailsmentioning

confidence: 99%

Opposite atom dependence of isotope engineering of thermal conductivity in bulk and 2D GaN

Sun,

Xiang,

et al. 2023

Nanotechnology

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Isotope engineering has been shown to be an effective means of regulating thermal conductivity. In this work, we studied the isotope engineering of thermal conductivity in bulk and 2D GaN, and diametrically opposite atom isotope dependence is found. That is, Ga isotope has a large effect (77%) on bulk GaN, while the effect of N isotope on the thermal conductivity is negligible. In 2D GaN, however, N isotope effect (20%) is more significant than that of Ga. Understanding of the different isotope dependence is achieved by deeper insight. Due to the relative magnitude of scattering rate, isotopic scattering influences the thermal conductivity of bulk and 2D GaN in different frequency regions, leading to the opposite atom dependence.

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“…GaN and its alloys with other III-nitride semiconductors are most widely used in optoelectronic and high-power devices, such as lasers, light-emitting diodes, detectors, and electronic devices operating in harsh environments, − owing to their wide, direct and tunable bandgap as well as their excellent thermal and chemical stabilities. Furthermore, the synthesis of one-atom-thick graphene and its unique properties have motivated the expansion of pertinent research into two-dimensional (2D) semiconductors, including GaN monolayers, due to their novel electronic properties when compared with their three-dimensional (3D) counterparts. − …”

Section: Introductionmentioning

confidence: 99%

Strain-Engineering of Electronic and Magnetic Properties of Chemically Passivated Zigzag GaN Nanoribbons: An Ab Initio Study

Gudelli

Alaal

Roqan

2023

ACS Appl. Eng. Mater.

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Strain is the inherent phenomenon that occurs during the synthesis and fabrication of low-dimensional materials and significantly affects the material properties. Thus, it needs to be addressed to better understand two-and onedimensional materials. In this work, we systematically investigate the strain effect on the electronic and magnetic properties of oxygen-and sulfur-passivated zigzag GaN nanoribbons (Z-GaNNRs) using first-principles density-functional theory.Our findings indicate that oxygen-passivated NRs (O-Z-GaNNRs) are more stable than the sulfur-passivated NRs (S-Z-GaNNRs). Our study reveals that, under strain-free conditions, the magnetic behaviors and electronic structure of GaNNRs as well as Ga−N bond lengths depend on passivating elements, while compressive and tensile strain leads to drastic changes in the electronic structure and material nature of bare as well as passivated Z-GaNNRs. Specifically, under −4% compressive strain, the half-metallic nature of bare Z-GaNNRs transforms into a semiconductor. O-Z-GaNNRs start to exhibit metallic nature under −4% and −6% strains, while AFM to FM transition occurs at the same compressive strains, whereas the magnetic properties of S-Z-GaNNRs remain unchanged. These results advance the understanding of these unique properties of GaNNRs and open a path for the development of magnetic one-dimensional nanomaterials for use in nanospintronic devices and pressure nanosensors.

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Strain effect on the phonon transport properties of hydrogenated 2D GaN

Cited by 8 publications

References 55 publications

Comparing mechanism response and thermal conductivity of Ti₃C₂ and Ti₃C₂O₂

Comparing mechanism response and thermal conductivity of Ti₃C₂ and Ti₃C₂O₂

Opposite atom dependence of isotope engineering of thermal conductivity in bulk and 2D GaN

Strain-Engineering of Electronic and Magnetic Properties of Chemically Passivated Zigzag GaN Nanoribbons: An Ab Initio Study

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Strain effect on the phonon transport properties of hydrogenated 2D GaN

Cited by 8 publications

References 55 publications

Comparing mechanism response and thermal conductivity of Ti3C2 and Ti3C2O2

Comparing mechanism response and thermal conductivity of Ti3C2 and Ti3C2O2

Opposite atom dependence of isotope engineering of thermal conductivity in bulk and 2D GaN

Strain-Engineering of Electronic and Magnetic Properties of Chemically Passivated Zigzag GaN Nanoribbons: An Ab Initio Study

Contact Info

Product

Resources

About

Comparing mechanism response and thermal conductivity of Ti₃C₂ and Ti₃C₂O₂

Comparing mechanism response and thermal conductivity of Ti₃C₂ and Ti₃C₂O₂