Journal ArticleDOI
On the feasibility of p-type Ga2O3
TLDR
In this paper, various cation substitutional dopants in Ga2O3 were investigated for the possibility of p-type conductivity using density functional theory and hybrid functional calculations.Abstract:
We investigate the various cation substitutional dopants in Ga2O3 for the possibility of p–type conductivity using density functional theory. Our calculations include both standard density functional theory and hybrid functional calculations. We demonstrate that all the investigated dopants result in deep acceptor levels, not able to contribute to the p–type conductivity of Ga2O3. In light of these results, we compare our findings with other wide bandgap oxides and reexamine previous experiments on zinc doping in Ga2O3.read more
Citations
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Perspective: Ga2O3 for ultra-high power rectifiers and MOSFETS
TL;DR: In this article, the performance of high voltage rectifiers and enhancement-mode metal-oxide field effect transistors on Ga2O3 has been evaluated and shown to benefit from the larger critical electric field relative to either SiC or GaN.
Journal ArticleDOI
Review of gallium-oxide-based solar-blind ultraviolet photodetectors
TL;DR: A comprehensive review of solar-blind photodetectors based on gallium oxide (Ga2O3) materials in various forms of bulk single crystal, epitaxial films, nanostructures, and their ternary alloys is presented in this paper.
Journal ArticleDOI
Recent progress on the electronic structure, defect, and doping properties of Ga2O3
TL;DR: In this paper, the fundamental understanding of the semiconductor physics and chemistry of Ga2O3 in terms of electronic band structures, optical properties, and the chemistry of defects and impurity doping is provided.
Journal ArticleDOI
Donors and deep acceptors in β-Ga2O3
Adam T. Neal,Shin Mou,Subrina Rafique,Hongping Zhao,Hongping Zhao,Elaheh Ahmadi,James S. Speck,Kevin T. Stevens,John D. Blevins,Darren B. Thomson,Neil Moser,Kelson D. Chabak,Gregg H. Jessen +12 more
TL;DR: In this article, the authors studied the properties of Si, Ge shallow donors and Fe, Mg deep acceptors in β-Ga2O3 through temperature dependent van der Pauw and Hall effect measurements of samples grown by a variety of methods.
Journal ArticleDOI
Structural and electronic properties of Ga 2 O 3 -Al 2 O 3 alloys
TL;DR: In this paper, the authors used hybrid density functional theory calculations to assess the alloy stabilities and electronic properties of the alloys and found that the monoclinic phase is the preferred structure for up to 71% Al incorporation, in close agreement with experimental phase diagrams.
References
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Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
Projector augmented-wave method
TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI
Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.