2013
DOI: 10.7567/jjap.52.08jj04
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Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN

Abstract: We explore the properties of group-II acceptors in GaN by performing hybrid density functional calculations. We find that MgGa gives rise to hole localization in zinc-blende GaN, similar to the behavior in the wurtzite phase. Alternative acceptor impurities, such as Zn and Be, also lead to localized holes in wurtzite GaN, and their ionization energies are larger than that of Mg. All these group-II acceptors also cause large lattice distortions in their neutral charge state, which in turn lead to deep and broad… Show more

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Cited by 52 publications
(48 citation statements)
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“…4 are consistent with those predicted for the acceptor level of Be [15]. Furthermore, the steady-state photo-EPR results for the purely Be-doped sample S4 (Fig.…”
Section: à3supporting
confidence: 88%
“…4 are consistent with those predicted for the acceptor level of Be [15]. Furthermore, the steady-state photo-EPR results for the purely Be-doped sample S4 (Fig.…”
Section: à3supporting
confidence: 88%
“…In Refs. it was found that BeGa also leads to hole localization onto a nearest‐neighbor nitrogen atom. Unlike for MgGa, hole localization at BeGa gives rise to a much larger ionization energy (calculated to be 450 meV in Ref.…”
Section: Acceptor Impurities In Ganmentioning
confidence: 99%
“…Another alternative acceptor in GaN is Zn, which was used in early light‐emitting diodes to generate sub‐band‐gap luminescence (). Like MgGa and BeGa, ZnGa has been found to lead to hole localization . Using the normalLDA+U‐based approach, it was found that ZnGa has an ionization energy of 0.32 eV (), while hybrid functional calculations gave an ionization energy of 0.46 eV ().…”
Section: Acceptor Impurities In Ganmentioning
confidence: 99%
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“…Despite theoretical studies showing that Be at a Ga site (BeGa) is a shallow acceptor, only slight p‐type conductivity was observed in GaN . The reason for this is that BeGa is a deep acceptor (EnormalV+0.55 eV) . Nevertheless, Be is now considered for white light–emitting diodes (LEDs) or for achieving high‐resistivity GaN layers .…”
Section: Introductionmentioning
confidence: 99%