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01790nam a2200349Ia 4500 |
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10.1063-5.0085366 |
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220510s2022 CNT 000 0 und d |
| 020 |
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|a 00218979 (ISSN)
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| 245 |
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|a N2, NO, and O2molecules in LiGaO2in both Ga and Li sites and their relation to the vacancies
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| 260 |
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|b American Institute of Physics Inc.
|c 2022
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| 856 |
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|z View Fulltext in Publisher
|u https://doi.org/10.1063/5.0085366
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|a Doping of the ultrawide bandgap semiconductor LiGaO 2 (E g = 5.6 eV) with N 2, NO, and O 2 molecules placed in either Ga or Li vacancies is studied using first-principles calculations. These molecular dopants are considered potential acceptors for p-type doping. Their optimal placement and orientation relative to the lattice is studied as well as their transition levels and energy of formation. Unfortunately, they are found to have deep acceptor level transition states. We discuss the relation of the transition levels to the one-electron levels, their spin state, and defect wave functions. They are found to be closely related to those of the corresponding vacancies. © 2022 Author(s).
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|a Band-gap semiconductors
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|a Calculations
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|a Energies of formation
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|a First principle calculations
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|a Gallium compounds
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|a Li vacancies
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|a Lithium
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|a Lithium compounds
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|a Optimal orientation
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4 |
|a Optimal placements
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|a P-type doping
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|a Semiconductor doping
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|a Transition energy
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|a Transition level
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|a Ultra-wide
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|a Wave functions
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|a Boonchun, A.
|e author
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|a Dabsamut, K.
|e author
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|a Lambrecht, W.R.L.
|e author
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| 773 |
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|t Journal of Applied Physics
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