First-principles studies of beryllium doping of GaN

Walle, Chris G. Van de; Limpijumnong, Sukit; Neugebauer, Jörg

doi:10.1103/physrevb.63.245205

Cited by 143 publications

(104 citation statements)

References 34 publications

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“…Beryllium appears to be a better acceptor than Mg in GaN for two reasons [4,5]. First, the formation energy of Be acceptors is slightly lower than that of Mg, indicating higher solubility.…”

Section: Discussionmentioning

confidence: 99%

“…We have found that the most stable configuration for the Be Ga -H complex has H sitting in a bond-center (BC) position in a Be Ga -N bond along the c axis [5]. The relaxed structure of the Be Ga -H complex defect in GaN is shown in Fig 2(a).…”

Section: Local Vibration Modes Of Be Ga -H Complex Defect In Ganmentioning

confidence: 99%

“…We estimate that the Be Ga -H complex has a dissociation barrier of 2.5 eV; typical activation anneal temperatures should therefore suffice. These results are discussed in greater detail elsewhere [5]. The presence of acceptor-hydrogen complexes can be assessed by monitoring the local vibration modes associated with these complexes [7].…”

Section: Stability and Diffusion Of Be In Ganmentioning

confidence: 99%

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Stability, diffusion, and complex formation of beryllium in wurtzite GaN

2000

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We have studied the properties of Be dopants in GaN using first principles calculations. Substitutional Be on a Ga site acts as an acceptor, but interstitial Be poses a potential problem because of its low formation energy and donor character. We study the diffusion of interstitial Be and find it to be highly anisotropic. We also study the formation of complexes between substitutional and interstitial Be, and between substitutional Be and hydrogen. We have calculated the Be-H vibrational modes to aid in experimental identification of such complexes.

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Section: Discussionmentioning

confidence: 99%

Section: Local Vibration Modes Of Be Ga -H Complex Defect In Ganmentioning

confidence: 99%

Section: Stability and Diffusion Of Be In Ganmentioning

confidence: 99%

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Stability, diffusion, and complex formation of beryllium in wurtzite GaN

2000

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“…19 Recently it has been proposed that Be i atoms migrate to Be Ga and form (Be-Be) Ga donors. 20 The presence of these defects would also explain the failure to achieve p-type electrical activity in GaN doped with Be.…”

Section: Ga and 71mentioning

confidence: 99%

Calculated properties of point defects in Be-doped GaN

et al. 2003

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The properties of several point defects in hexagonal gallium nitride that can compensate beryllium shallow acceptors (Be Ga ) are calculated using the AIMPRO method based on local density functional theory. Be Ga itself is predicted to have local vibrational modes ͑LVM's͒ very similar to magnesium acceptors. The highest frequency is about 663 cm Ϫ1 . Consistent with other recent studies, we find that interstitial beryllium double donors and single-donor beryllium split interstitial pairs at gallium sites are very likely causes of compensation. The calculations predict that the split interstitial pairs possess three main LVM's at about 1041, 789, and 738 cm Ϫ1 . Of these, the highest is very close to the experimental observation in Be-doped GaN. Although an oxygen donor at the nearest-neighboring site to a beryllium acceptor (Be Ga -O N ) is also a prime suspect among defects that are possibly responsible for compensation, its highest frequency is calculated to be about 699 cm Ϫ1 and hence is not related in any way to the observed center. Another mode for this defect is estimated to be about 523 cm Ϫ1 and is localized on the O N atom. These two vibrations of Be Ga -O N are thus equivalent to those for the isolated substitutional centers perturbed by the presence of their impurity partners.

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“…The latter was reported to ensure the highest intentional free carrier concentration of 8 Â 10 18 cm À3 [6]. The p-type doping in HVPE GaN growth can be achieved by using Zn [7], Cd [8], Be [9], or Mg [10], [11]. Today Mg doping, shown to be relatively more efficient, is mostly used by adding pure metal or powder Mg in a separate boat or mixed with Ga metal and exposed to the HCl.…”

Section: A Hydride Vapor Phase Epitaxymentioning

confidence: 99%

GaN Substrates for III-Nitride Devices

2010

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| Despite the rapid commercialization of III-nitride semiconductor devices for applications in visible and ultraviolet optoelectronics and in high-power and high-frequency electronics, their full potential is limited by two primary obstacles: i) a high defect density and biaxial strain due to the heteroepitaxial growth on foreign substrates, which result in lower performance and shortened device lifetime, and ii) a strong built-in electric field due to spontaneous and piezoelectric polarization in the wurtzite structures along the well-established [0001] growth direction for nitrides. Recent advances in the research, development, and commercial production of native GaN substrates with low defect density and high structural and optical quality have opened opportunities to overcome both of these obstacles and have led to significant progress in the development of several optoelectronic and high-power devices. In this paper, the recent achievements in bulk GaN growth development using different approaches are reviewed; comparison of the bulk materials grown in different directions is made; and the current achievements in device performance utilizing native GaN substrate material are summarized.

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First-principles studies of beryllium doping of GaN

Cited by 143 publications

References 34 publications

Stability, diffusion, and complex formation of beryllium in wurtzite GaN

Stability, diffusion, and complex formation of beryllium in wurtzite GaN

Calculated properties of point defects in Be-doped GaN

GaN Substrates for III-Nitride Devices

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