Using the method of computer simulation based on the density functional theory, the influence of vacancy on the structures of silicon clusters Si29H36 and Si29VH36 are calculated. It is shown that the simultaneous introduction of O and C atoms into the central coordination sphere of the cluster Si29H36 leads to formation of the Оi-Si-Сi complex. In the cluster with vacancy, the complexes 3H+C+Si and Si-O-V are formed.
| Mualliflar | Махкамов, Ш.М., Сулайманов, Н.Т., Нормуродов, А.Б., Эрдонов, М.Н., Эгамов, С. |
|---|---|
| Jurnal | O‘zbekiston fizika jurnali |
| Nashr sanasi | 2024-01-17 |
| Jild | 25 |
| Son | 4 |
| Til | Rus |
| DOI | 10.52304/.v25i4.481 |
DOI: 10.52304/.v25i4.481 · Maqolaning asl sahifasi
компьютерное моделирование, нанокластер кремния, структура, внедрение примесей, silicon nanocluster, computer simulation, introduction of impurities
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