Research output: Contribution to journal › Article › peer-review
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).
Original language | English |
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Pages (from-to) | 543-548 |
Number of pages | 6 |
Journal | Solid-State Electronics |
Volume | 47 |
Issue number | 3 |
DOIs | |
State | Published - 1 Mar 2003 |
ID: 36024312