Heterostructural phase diagram of Ga2O3–based solid solution with Al2O3

Kim, Hyeon Woo; Ko, Hyun-Seok; Chung, Yoonsun; Cho, Sung Beom

doi:10.1016/j.jeurceramsoc.2020.08.067

Cited by 20 publications

(24 citation statements)

References 41 publications

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“…First the situation is discussed from a total energy perspective. From a thermodynamic standpoint, the corundum-phase (Al x Ga 1−x ) 2 O 3 alloy is metastable for x < 0.71 13 or for x < 0.84 for a cation-disordered phase 33 (the stable phase is the monoclinic β -phase). Thus, our α-phase layer with x ≈ 0.6 is expected to be in the metastable range for bulk material.…”

Section: Alloy Instabilitymentioning

confidence: 99%

“…What can be taken from this is that the total energy situation is close to the instability point where the alloy can phase separate. If cation disorder is considered, the enthalpy term becomes smaller by approximately a factor of two 33 , favoring alloy homogeneity. However, other energies such as surface or interface energies have not been considered here.…”

Section: Alloy Instabilitymentioning

confidence: 99%

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Plastic strain relaxation and alloy instability in epitaxial corundum-phase (Al,Ga)₂O₃ thin films on r-plane Al₂O₃

et al. 2021

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Section: Alloy Instabilitymentioning

confidence: 99%

Section: Alloy Instabilitymentioning

confidence: 99%

Plastic strain relaxation and alloy instability in epitaxial corundum-phase (Al,Ga)₂O₃ thin films on r-plane Al₂O₃

et al. 2021

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“…10,11 The α-Ga 2 O 3 phase is prepared by Kim and Yang. 12 The high-temperature β-phase with monoclinic structure is found at 1000 C. The defective spinel γ-phase is synthesized within the heating hydroxide gel under 400 C to 500 C. 13 The body-centred cubic δ phase is prepared by the continuous heating of Ga(NO 3 ) 3 under 250 C. 14 Among five Ga 2 O 3 , the β-Ga 2 O 3 has the best stability, which has been widely studied over the last years.…”

Section: Introductionmentioning

confidence: 99%

First‐principles investigation of the influence of point defect on the electronic and optical properties of α‐Ga ₂ O ₃

Pan

2022

Intl J of Energy Research

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The Ga 2 O 3 is a promising semiconductor, which is used in electric vehicles and 5G. However, the role of point defect of α-Ga 2 O 3 is unknown. To solve the problem, here, the influence of vacancy on the electronic and optical properties of α-Ga 2 O 3 is studied by the first-principles calculations. Two typical vacancies, O vacancy and Ga vacancy, were designed. The calculated resultsshow that the α-Ga 2 O 3 prefers to form O vacancy in comparison to the Ga vacancy. Furthermore, the calculated band gap of α-Ga 2 O 3 is 2.970 eV. However, the calculated band gap of O vacancy and Ga vacancy is 3.556 and 3.201 eV, which is bigger than the perfect α-Ga 2 O 3 . Essentially, the wide band gap is that the removed atom results in a band shift from the Fermi level to the high-energy regions. The change of band gap of these oxides is affirmed by the dielectric function. Finally, it is found that the α-Ga 2 O 3 oxide shows ultraviolet properties, which are in good agreement with the Ping and Berhanuddin's result. However, the calculated optical adsorption coefficient shows that the O vacancy induces the movement from the ultraviolet region to the visible light. The O vacancy and Ga vacancy weaken the storage optical properties of α-Ga 2 O 3 based on the analysis of loss function functional. K E Y W O R D Sα-Ga 2 O 3 , electronic properties, first-principles calculations, optical properties, vacancy

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“…Researchers have successfully synthesized Ga 2 O 3 -Al 2 O 3 alloy (Al x Ga 1-x ) 2 O 3 using molecular beam epitaxy (MBE) 14,[17][18] , chemical vapor deposition [19][20][21] , pulsed laser deposition [22][23][24] , solid combustion synthesis, and so on [25][26][27] . Some novel results of the alloys of aluminum and Ga 2 O 3 have been reported in experiments 22 and calculations [28][29][30] . Researchers have also done relevant studies on the response for (In x Ga 1-x ) 2 O 3 system to different wavelengths 31 .…”

Section: Introductionmentioning

confidence: 99%

Electronic properties and stability of M₂O₃ (M = Al, Ga, In) and alloy (M_xGa_1‐x)₂O₃ in α and β phases: A theoretical study

et al. 2022

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Ga2O3 is clearly emerging as an important wide band‐gap semiconductor. Band‐gap engineering is now highly demanded for expanding its applications. Alloying with the same group of metal oxides is a straightforward and effective way. In this work, by using hybrid density functional theory calculations, the structural, electronic properties, and phase stability of group IIIA (Al, Ga, In) metal oxides and their ternary alloys (MxGa1‐x)2O3 (M = Al, In) in the corundum and monoclinic phases are systematically investigated. The lattice constants, elastic constants, modulus, formation energies, band‐gaps, band‐gap deformation potentials, band‐edge alignments, band‐gap bowing, and ternary alloy formation energies are obtained. The basic relations between the geometric structure and electronic properties are discussed. It is found that the cation ordered structure is the most stable alloy structure in the monoclinic phase, rather than the random alloy structure as is commonly thought. A phase stability diagram of the (MxGa1‐x)2O3 alloys is established, showing that the stable phase of the alloy changes from the monoclinic phase to the corundum phase when the incorporation of Al2O3 (In2O3) is greater than 69% (76%). These results can be used to understand the relative experimental data and shed some light on the synthesis and device design efforts of Ga2O3.

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Heterostructural phase diagram of Ga2O3–based solid solution with Al2O3

Cited by 20 publications

References 41 publications

Plastic strain relaxation and alloy instability in epitaxial corundum-phase (Al,Ga)₂O₃ thin films on r-plane Al₂O₃

Plastic strain relaxation and alloy instability in epitaxial corundum-phase (Al,Ga)₂O₃ thin films on r-plane Al₂O₃

First‐principles investigation of the influence of point defect on the electronic and optical properties of α‐Ga ₂ O ₃

Electronic properties and stability of M₂O₃ (M = Al, Ga, In) and alloy (M_xGa_1‐x)₂O₃ in α and β phases: A theoretical study

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Heterostructural phase diagram of Ga2O3–based solid solution with Al2O3

Cited by 20 publications

References 41 publications

Plastic strain relaxation and alloy instability in epitaxial corundum-phase (Al,Ga)2O3 thin films on r-plane Al2O3

Plastic strain relaxation and alloy instability in epitaxial corundum-phase (Al,Ga)2O3 thin films on r-plane Al2O3

First‐principles investigation of the influence of point defect on the electronic and optical properties of α‐Ga 2 O 3

Electronic properties and stability of M2O3 (M = Al, Ga, In) and alloy (MxGa1‐x)2O3 in α and β phases: A theoretical study

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Plastic strain relaxation and alloy instability in epitaxial corundum-phase (Al,Ga)₂O₃ thin films on r-plane Al₂O₃

Plastic strain relaxation and alloy instability in epitaxial corundum-phase (Al,Ga)₂O₃ thin films on r-plane Al₂O₃

First‐principles investigation of the influence of point defect on the electronic and optical properties of α‐Ga ₂ O ₃

Electronic properties and stability of M₂O₃ (M = Al, Ga, In) and alloy (M_xGa_1‐x)₂O₃ in α and β phases: A theoretical study