Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
First-principles studies of beryllium doping of GaN - art. no. 245205
Autore:
Van de Walle, CG; Limpijumnong, S; Neugebauer, J;
Indirizzi:
Xerox Corp, Palo Alto Res Ctr, Palo Alto, CA 94304 USA Xerox Corp Palo Alto CA USA 94304 o Alto Res Ctr, Palo Alto, CA 94304 USA Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany Max Planck Gesell Berlin Germany D-14195 r Inst, D-14195 Berlin, Germany
Titolo Testata:
PHYSICAL REVIEW B
fascicolo: 24, volume: 6324, anno: 2001,
pagine: 5205 -
SICI:
0163-1829(20010615)6324:24<5205:FSOBDO>2.0.ZU;2-5
Fonte:
ISI
Lingua:
ENG
Soggetto:
MOLECULAR-BEAM EPITAXY; DENSITY-FUNCTIONAL CALCULATIONS; DOPED GAN; ELECTRONIC-STRUCTURE; NATIVE DEFECTS; ACCEPTOR; LUMINESCENCE; WURTZITE; HYDROGEN; MBE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
--discip_EC--
Citazioni:
46
Recensione:
Indirizzi per estratti:
Indirizzo: Van de Walle, CG Xerox Corp, Palo Alto Res Ctr, 3333 Coyote Hill Rd, Palo Alto, CA 94304 USA Xerox Corp 3333 Coyote Hill Rd Palo Alto CA USA 94304 USA
Citazione:
C.G. Van de Walle et al., "First-principles studies of beryllium doping of GaN - art. no. 245205", PHYS REV B, 6324(24), 2001, pp. 5205

Abstract

The structural and electronic properties of beryllium substitutional accepters and interstitial donors in GaN are investigated using first-principlescalculations based on pseudopotentials and density-functional theory. In p-type GaN, Be interstitials, which act as donors, have formation energies comparable to that of substitutional Be on the Ga site, which is an acceptor. In thermodynamic equilibrium, incorporation of Be interstitials will therefore result in severe compensation. To investigate the kinetics of Be interstitial incorporation and outdiffusion we have explored the total-energy surface. The diffusivity of Be interstitials is highly anisotropic, with a migration barrier in planes perpendicular to the c axis of 1.2 eV, while thebarrier for motion along the c axis is 2.9 eV. We have also studied complex formation between interstitial donors and substitutional accepters, and between hydrogen and substitutional beryllium. The results for wurtzite GaN are compared with those for the zinc-blende phase. Consequences for p-type doping using Be accepters are discussed.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 05/04/20 alle ore 06:51:36