2000
DOI: 10.1557/proc-639-g4.3
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Stability, diffusion, and complex formation of beryllium in wurtzite GaN

Abstract: 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 experi… Show more

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Cited by 3 publications
(9 citation statements)
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“…One problem for Be, however, is that the atom is too small and can incorporate efficiently on the interstitial site, where it acts as a double donor. 30,[40][41][42] Therefore, among the group-II impurities, Mg and Be are the most promising p-type dopants for GaN, and Be appears to be the best candidate, provided that the conditions that suppress formation of Be i donors can be established. This is technologically challenging to say the least.…”
Section: Substitutional Acceptorsmentioning
confidence: 99%
“…One problem for Be, however, is that the atom is too small and can incorporate efficiently on the interstitial site, where it acts as a double donor. 30,[40][41][42] Therefore, among the group-II impurities, Mg and Be are the most promising p-type dopants for GaN, and Be appears to be the best candidate, provided that the conditions that suppress formation of Be i donors can be established. This is technologically challenging to say the least.…”
Section: Substitutional Acceptorsmentioning
confidence: 99%
“…As another example, beryllium diffuses in the c-plane with diffusion energy of 1.2 eV, compared to diffusion energy of 2.9 eV along the c axis. 7 Another consideration is that dislocations may act as sources for native defects, e.g., growth of n-type GaN under gallium rich conditions may encourage formation of either type of vacancy at dislocations, 8 which can then disperse within the crystal if the diffusion energy is low enough. With potentially low and anisotropic diffusion energies, we may expect that some of the defects in GaN are mobile at moderately high temperatures, within device operational range.…”
mentioning
confidence: 99%
“…From the theoretical side, Be is one of the most studied impurities in GaN and considerable efforts have been made in order to understand its doping behavior [4,[16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32]. However, up to now no consensus has been reached regarding theoretical predictions of its acceptor level(s), for which values of <200 meV [16], 60 meV [17], 185-241 meV [18], 183-190 meV [20], 60 meV [22], 120 meV [23], 550 meV [25], 47-93 meV [26], 600 meV [28], 720-800 meV [29], and 205 meV [31] can be found in the literature.…”
Section: Introductionmentioning
confidence: 99%
“…One theoretical study [24] and recent experimental results [30] point towards the hypothesis that Be has two acceptor levels, a relatively shallow one (EA≈113 meV), and a second, which is deeper (E A ≈580 meV) and characterized by large lattice relaxations. Moreover, several theoretical studies [4,16,19,[21][22][23]25,31] have predicted that Be is an amphoteric impurity in GaN, meaning that it can occupy substitutional Ga positions (Be Ga ), where it acts as an acceptor, but also interstitial sites (Be i ), where it acts as a double donor. This implies that the formation of interstitial Be i instead of substitutional Be Ga should become more favorable in p-GaN, which was forecast to be the case once the Fermi level is closer than ≈1.2 eV [16], 0.8 eV [19], 0.5 eV [21], 0.3-0.5 eV [22], 1.4-1.8 eV [25], or 1.2-1.6 eV [31] from the valence band.…”
Section: Introductionmentioning
confidence: 99%
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