Electronic and geometric stability of double titanium-doped silicon clusters
We performed the genetic algorithm (GA) incorporated with density functional theory (DFT) calculations to investigate the atomic and electronic properties of a series of Ti _2 Si _n (n = 3 = –24) clusters. Comprehensive consideration on the formation energy, the second difference in cluster energy a...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2020-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/ababbf |