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First-principles Modeling of Thin-film Ferroelectrics
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| 자료유형 | 학위논문 |
|---|---|
| 서명/저자사항 | First-principles Modeling of Thin-film Ferroelectrics. |
| 개인저자 | Angsten, Thomas Henry. |
| 단체저자명 | University of California, Berkeley. Materials Science & Engineering. |
| 발행사항 | [S.l.]: University of California, Berkeley., 2018. |
| 발행사항 | Ann Arbor: ProQuest Dissertations & Theses, 2018. |
| 형태사항 | 112 p. |
| 기본자료 저록 | Dissertation Abstracts International 80-01B(E). Dissertation Abstract International |
| ISBN | 9780438324817 |
| 학위논문주기 | Thesis (Ph.D.)--University of California, Berkeley, 2018. |
| 일반주기 |
Source: Dissertation Abstracts International, Volume: 80-01(E), Section: B.
Adviser: Mark D. Asta. |
| 요약 | The goal of this dissertation is to explore the properties of thin-film ferroelectrics using first-principles computational methods. Achieving this goal requires both the development of efficient methods for computing thin-film properties as wel |
| 요약 | First, the structural properties, energetics, and polarizations of perovskite-based thin-film oxide systems are computed as a function of biaxial strain state and epitaxial orientation, employing an automated computational workflow based on dens |
| 요약 | Following the work described above, ground-state epitaxial phase diagrams are calculated by DFT for SrTiO3, CaTiO3, and SrHfO 3 perovskite-based compounds, accounting for effects of antiferrodistortive and A-site displacement modes. Biaxial stra |
| 요약 | Further, an effort is made to identify alternative vanadate perovskite-derivative systems similar to the well-studied pressure-stabilized PVO structure. To achieve this, the stability of perovskite-derivative thin-film structures of KVO3 and NaV |
| 일반주제명 | Materials science. |
| 언어 | 영어 |
| 바로가기 | 
: 이 자료의 원문은 한국교육학술정보원에서 제공합니다. |
