Electronic properties of zinc‐blende Scx Ga1−xN

Fredj, A. Ben; Oussaifi, Y; Bouarissa, N.; Saïd, M.

doi:10.1002/pssb.200541493

Cited by 17 publications

(6 citation statements)

References 34 publications

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“…In particular, gallium nitride is the most useful material for blue laser diode technology and applications owing to its wide band gap [3]. The ground state configuration of GaN is wurtzite phase.…”

Section: Introductionmentioning

confidence: 99%

First-principles investigation of bowing parameter in zinc-blendeSc_xGa_1−xN

Yurdaşan

Gülebağlan

Tunali

et al. 2014

Philosophical Magazine Letters

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We present first-principles calculations of the structural and electronic properties of binary GaN, ScN and Sc x Ga 1−x N alloys in the zinc-blende structure using pseudopotential plane-wave method within the density functional theory. The alloys are described by considering configurations in 16-atom supercells, corresponding to 2 × 2 × 2 conventional cubic cells. The lattice parameter, bulk modulus, bulk modulus derivation, the energy band gap and bowing parameter are obtained as a function of Sc concentration for ternary alloys Sc x Ga 1−x N . Our studies focus on the concentration dependence of the electronic band structure and bowing parameter of these alloys. We found that x composition affects strongly bowing parameter and the band gap increases with increasing Sc concentration for Sc x Ga 1−x N in the zinc-blende structure. The results also show that the energy band gap and bowing parameter of the Sc x Ga 1−x N alloys can be obtained by a third-order polynomial equation, E gap (x) = −2.56x 3 + 4.29714x 2 − 0.94857x + 1.83429 eV and b(x) = −72.61x 3 + 117.7x 2 − 70.27x + 16.08 eV, respectively.

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Section: Introductionmentioning

confidence: 99%

First-principles investigation of bowing parameter in zinc-blendeSc_xGa_1−xN

Yurdaşan

Gülebağlan

Tunali

et al. 2014

Philosophical Magazine Letters

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“…For the low x regime wurtzite-like structure is formed, whereas for the high x regime, the rocksalt-like structure is formed. While zincblende ScN is only a hypothetical structure and even in GaN it is a metastable form that can be stabilized only by epitaxial growth, the mixed alloys might have some stability range in the zinc-blende structure for small semiconductor concentrations [24].…”

Section: Introductionmentioning

confidence: 99%

Elastic properties and optical phonon frequencies of zinc-blende Sc_xGa₁₋_xN

Oussaifi¹,

Fredj²,

Debbichi³

et al. 2007

Semicond. Sci. Technol.

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Based on the empirical pseudopotential method within the virtual crystal approximation combined with the Harrison bond-orbital model, the elastic and lattice vibration properties of GaN, ScN and their hypothetical semiconducting alloys Sc x Ga 1−x N in the zinc-blende structure have been investigated. Quantities such as elastic constants, bulk modulus, shear modulus, refractive index, dielectric constants and optical phonon frequencies were calculated as a function of the scandium molar fraction x. The agreement between the present results and the known data that are available only for GaN is generally satisfactory. Our results for Sc x Ga 1−x N (0 < x 1) are predictions.

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“…[3][4][5] Since ScN(111) lattice matches to wurtzite-GaN(0001) and cubic-GaN(111), it has been used as a buffer layer or interlayer to reduce the threading dislocation density in GaN epilayers. [6][7][8][9] In addition, Ga x Sc 1Àx N alloys [10][11][12][13][14][15][16] and the ScN/GaN hetero-junction 17 are being investigated to improve the performance of GaN-based devices. Furthermore, among the transition metal nitrides, ScN possesses an anomalous high thermoelectric factor, 18,19 which make it potential candidate material for high temperature thermoelectric applications.…”

mentioning

confidence: 99%

Hydride vapor phase epitaxy and characterization of high-quality ScN epilayers

Oshima

Vı́llora

Shimamura

2014

Journal of Applied Physics

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Articles you may be interested inGas source molecular beam epitaxy of scandium nitride on silicon carbide and gallium nitride surfaces J. Vac. Sci. Technol. A 32, 061504 (2014); 10.1116/1.4894816 Thermoelectric properties of epitaxial ScN films deposited by reactive magnetron sputtering onto MgO(001) substrates J. Appl. Phys. 113, 153704 (2013); 10.1063/1.4801886 High mobility single crystalline ScN and single-orientation epitaxial YN on sapphire via magnetron sputtering J. Appl. Phys.Metal organic vapor phase epitaxial growth of heavily carbon-doped GaAs using a dopant source of CCl 3 Br and quantitative analysis of the compensation mechanism in the epilayers

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Electronic properties of zinc‐blende Sc_x Ga_1−xN

Cited by 17 publications

References 34 publications

First-principles investigation of bowing parameter in zinc-blendeSc_xGa_1−xN

First-principles investigation of bowing parameter in zinc-blendeSc_xGa_1−xN

Elastic properties and optical phonon frequencies of zinc-blende Sc_xGa₁₋_xN

Hydride vapor phase epitaxy and characterization of high-quality ScN epilayers

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Electronic properties of zinc‐blende Scx Ga1−xN

Cited by 17 publications

References 34 publications

First-principles investigation of bowing parameter in zinc-blendeScxGa1−xN

First-principles investigation of bowing parameter in zinc-blendeScxGa1−xN

Elastic properties and optical phonon frequencies of zinc-blende ScxGa1−xN

Hydride vapor phase epitaxy and characterization of high-quality ScN epilayers

Contact Info

Product

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Electronic properties of zinc‐blende Sc_x Ga_1−xN

First-principles investigation of bowing parameter in zinc-blendeSc_xGa_1−xN

First-principles investigation of bowing parameter in zinc-blendeSc_xGa_1−xN

Elastic properties and optical phonon frequencies of zinc-blende Sc_xGa₁₋_xN