First – principles study of the Electronic structure of BaTiO3 using Different Approximations
| contributor author | محمد حسینی | en |
| contributor author | ناصر شاه طهماسبی | en |
| contributor author | Mohammad Hosseini | fa |
| contributor author | Nasser Shahtahmassebi | fa |
| date accessioned | 2020-06-06T13:08:05Z | |
| date available | 2020-06-06T13:08:05Z | |
| date issued | 2004 | |
| identifier uri | https://libsearch.um.ac.ir:443/fum/handle/fum/3342906?show=full | |
| description abstract | The electronic structure, energy band structure, and density of states (DOS) in paraelectric cubic crystal BaTiO3 are studied by using the full potential-linearized augmented plane wave (FP-LAPW) method in the framework of density functional theory (DFT), with the generalized gradient approximation (GGA). The results show a direct band gap of 1.95 eV at the | en |
| language | English | |
| title | First – principles study of the Electronic structure of BaTiO3 using Different Approximations | en |
| type | Journal Paper | |
| contenttype | External Fulltext | |
| subject keywords | PACS numbers: 71 | en |
| subject keywords | 15 | en |
| subject keywords | Mb | en |
| journal title | Chinese Journal of Physics | fa |
| pages | 619-628 | |
| journal volume | 42 | |
| journal issue | 5 | |
| identifier link | https://profdoc.um.ac.ir/paper-abstract-201460.html | |
| identifier articleid | 201460 |
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