用第一原理法对Ge/Si (113)表面的重构、表面能和表面应力及其随Ge沉积层数的变化情况进行了计算,分析了Ge/Si (001)自组织量子点DOME形成机制和稳定性.发现构成DOME的Ge/Si(113)表面在压应变条件下是能量非常低的稳定表面.Ge原子在Si(001)表面上自组织生长量子点时,首先形成HUT岛;当生长到相当于约4个(001)层厚时,Ge/Si (113)表面表现为(2×2)-TPI&R重构,并开始形成稳定的DOME岛.
Using a first-principles total energy method based on density functional theory within local density approximation, we performed a first-principles computational calculation on reconstruction, energy and stress of Ge/Si(113) surface and their dependence on number of Ge layers deposited. We analyzed the formation mechanism and stability of DOME and found that Ge/Si(113) surface of DOME was a stable surface with lower energy under the compressive strain condition and DOME started to form when self-organized quantum dot on Si(001) grew to about four (001) layers' thickness.
参考文献
| [1] | 司俊杰,杨沁清,滕达,王红杰,余金中,王启明,郭丽伟,周均铭.（113）面硅衬底上自组织生长的GeSi量子点及其光荧光[J].物理学报,1999(09):1745-1750. |
| [2] | 邓宁,陈培毅,李志坚.Si组分对SiGe量子点形状演化的影响[J].物理学报,2004(09):3136-3140. |
| [3] | Liu F;Wu F;Lagally M G .[J].Chemical Reviews,1997,97:1045. |
| [4] | Liu F.;Lagally MG. .SELF-ORGANIZED NANOSCALE STRUCTURES IN SI/GE FILMS[J].Surface Science: A Journal Devoted to the Physics and Chemistry of Interfaces,1997(1/3):169-181. |
| [5] | Mo Y M;Savage D E;Swartzentruber B S et al.[J].Physical Review Letters,1990,65:1020. |
| [6] | Eaglesham D J;Cerullo M .[J].Physical Review Letters,1990,64(16):1943. |
| [7] | Daruka I;Barabasi AL .Dislocation-free island formation in heteroepitaxial growth: A study at equilibrium[J].Physical review letters,1997(19):3708-3711. |
| [8] | Ribeiro G M;Gratkovski A M;Kamins T I et al.[J].Science,1998,279:353. |
| [9] | Ross F M;Tromp R M;Reuter M C et al.[J].Science,1994,286:3570. |
| [10] | Lu G H;Cuma M;Liu F .[J].Physical Review B:Condensed Matter,2005,72:125415. |
| [11] | 吕广宏,刘锋.半导体量子点形成临界尺寸的定量预测[J].物理,2006(06):447-450. |
| [12] | Kresse G;Hafner J .[J].Physical Review B:Condensed Matter,1993,47:558. |
| [13] | Kresse G.;Furthmuller J. .EFFICIENT ITERATIVE SCHEMES FOR AB INITIO TOTAL-ENERGY CALCULATIONS USING A PLANE-WAVE BASIS SET[J].Physical Review.B.Condensed Matter,1996(16):11169-11186. |
| [14] | Ranke W .[J].Physical Review B:Condensed Matter,1990,41:5243. |
| [15] | Wang J;Horsfield A P;Pettifor D G et al.[J].Physical Review B:Condensed Matter,1996,54:13744. |
| [16] | Dabrowski J;Mussig H J;Wolff G et al.[J].Physical Review Letters,1994,73:1660. |
| [17] | Zhang Z;Sumitomo K;Omi H et al.[J].Physical Review Letters,2002,88:256101. |
| [18] | Harrison W A .[J].Surface Science,1976,55:1. |
| [19] | Tromp R M;Van Loenen E J .[J].Surface Science,1985,55:41. |
| [20] | Vanderbilt D .[J].Physical Review B:Condensed Matter,1990,41:7892. |
| [21] | Lu G H;Huang M;Guma M et al.[J].Surface Science,2005,588:61. |
| [22] | Liu F;Lagally M .[J].Physical Review Letters,1996,76:3156. |
| [23] | Vanderbilt D .[J].Physical Review Letters,1987,59:1456. |
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