In-gap states and local structures around substitutional defects in La- or Nb-doped n-type SrTiO3
First-principles calculations with DFT+U method were conducted on the local structures and the in-gap electronic states of n-type SrTiO3, whose electron doping was realized by substitution of Sr by La or Ti by Nb. For both La-doped and Nb-doped SrTiO3, cubic structures were proved to be stable e3ven...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-01-01
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| Series: | Next Materials |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949822823000679 |