Vibrational and dielectric properties of AlN: A first-principles study

Zhang, Xian; Gui, Wenhua; Zeng, Qingfeng; Chen, Qichao

doi:10.1016/j.ceramint.2016.09.028

Cited by 8 publications

(2 citation statements)

References 54 publications

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“…Therefore, in the application of semiconductors, compatibility means are often used to make the two compatible and utilize their respective advantages. Because of this, more and more attention has been paid to research on new structures and the physical properties of the compounds [1][2][3][4][5][6][7][8][9][10][11][12][13].…”

Section: Introductionmentioning

confidence: 99%

“…Lately, a growing number of studies have been conducted in the field of novel semiconductor materials, such as III-V nitride compound [1][2][3][4][5][6][7][8][9], other III-V compound materials [13][14][15][16][17][18][19][20], carbon-based [14][15][16][17][18][19][20][21], and silicon-based [22][23][24][25][26][27][28]. The structural properties, electronic properties, mechanical attributes, and stableness of the BN polymorph in the Pnma structure were investigated, utilizing first-principles calculations by the Cambridge Serial Total Energy Package (CASTEP) plane-wave code, which was studied by Ma et al [1].…”

Section: Introductionmentioning

confidence: 99%

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Physical Properties of XN (X = B, Al, Ga, In) in the Pm−3n phase: First-Principles Calculations

et al. 2020

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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.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Physical Properties of XN (X = B, Al, Ga, In) in the Pm−3n phase: First-Principles Calculations

et al. 2020

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In-situ growth of Fe/Fe3O4/C hierarchical architectures with wide-band electromagnetic wave absorption

Meng

Zhang

et al. 2018

Ceramics International

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Carbon materials have aroused extensive interests for their remarkable electrical properties as electromagnetic wave (EMW) absorption. However, the synthesis of the wide-band electromagnetic wave absorbent is an insuperable challenge for attaining effective refection loss and electromagnetic matching. Herein, a facile method for large-scale synthesis of monodispersed Fe/Fe 3 O 4 /C composite microspheres is proposed. The carbon microspheres (1-2 μm in diameter) imbedded with nanosized Fe/Fe 3 O 4 2 particles (10-20 nm) are uniformly produced by polymerization and carbothermic reduction processes. The products exhibit the minimum refection loss-45.5 dB at 9.4 GHz and a broad bandwidth of 4.1 GHz below-10 dB from 7.8 GHz to 11.9 GHz with a thickness of 3.0 mm. The absorption mechanism indicates a unique deviated Debye dipolar relaxation effect in the absorbing bandwidth.

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First-principles study of the electronic structure and optical properties of Eu2+–M (M = Mn2+, Mg2+, Li+) co-doped γ-AlON phosphor

Zhang

Gao

et al. 2019

Ceramics International

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Vibrational and dielectric properties of AlN: A first-principles study

Cited by 8 publications

References 54 publications

Physical Properties of XN (X = B, Al, Ga, In) in the Pm−3n phase: First-Principles Calculations

Physical Properties of XN (X = B, Al, Ga, In) in the Pm−3n phase: First-Principles Calculations

In-situ growth of Fe/Fe3O4/C hierarchical architectures with wide-band electromagnetic wave absorption

First-principles study of the electronic structure and optical properties of Eu2+–M (M = Mn2+, Mg2+, Li+) co-doped γ-AlON phosphor

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