DOI

In the present report mixed cubic clusters [(HAl)x(HGa)y(HIn)z(YH)4] (Y=N, P, As, x+y+z=4) and [(HM)4(NH)k(PH)1(AsH)m] (M=Al, Ga, In, k+l+m=4) are theoretically investigated for the first time. Structural parameters, vibrational frequencies and thermodynamic properties have been obtained at B3LYP/LANL2DZ(d,p) level of theory. At high temperatures, mixed clusters are predicted to be thermodynamically more stable compared to mixture of homoatomic cubanes. Nitrogen-containing clusters have higher stability toward dissociation and are formed more exothermically compared to P, As analogs. Thus, mixed nitrogen clusters are expected to serve as advanced single-source precursors for CVD of mixed alloys, such as AlxGayIn1-x-yN. Variation of the Al:Ga:In ratio is possible by using higher oligomers [HMYH]n (n=6-12).

Язык оригиналаанглийский
Страницы (с-по)543-548
Число страниц6
ЖурналSolid-State Electronics
Том47
Номер выпуска3
DOI
СостояниеОпубликовано - 1 мар 2003

    Предметные области Scopus

  • Электроника, оптика и магнитные материалы
  • Физика конденсатов
  • Химия материалов
  • Электротехника и электроника

ID: 36024312