DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Han, Myung Joon | - |
dc.contributor.advisor | 한명준 | - |
dc.contributor.author | Jeong, Min Yong | - |
dc.date.accessioned | 2022-04-15T01:53:50Z | - |
dc.date.available | 2022-04-15T01:53:50Z | - |
dc.date.issued | 2021 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=964715&flag=dissertation | en_US |
dc.identifier.uri | http://hdl.handle.net/10203/294568 | - |
dc.description.abstract | To predict and analyze the material properties for realistic systems in the first-principles approach is always demanded. In this dissertation, we will present the first-principles study for the lacunar spinel compound, GaTa$_4$Se$_8$. GaTa$_4$Se$_8$is the material that contains 5d transition metal atoms, which implies that both spin-orbit coupling and electron-electron interaction are important. We used density functional theory (DFT), DFT + U, and dynamical mean-eld theory to study the electronic, magnetic, and structural properties of GaTa$_4$Se$_8$. The parameterization of GaTa$_4$Se$_8$ is also done based on DFT electronic structure. Based on the calculation results and the experimental collaboration, we discuss the material characteristics, including intriguing magnetism, insulator-metal transition, and superconductivity. | - |
dc.language | eng | - |
dc.title | First-principles study on spin-orbital entangled Jeff =3/2 moments and related properties of the lacunar spinel compound GaTa4Se8 | - |
dc.title.alternative | 라쿠나 스피넬 화합물 GaTa4Se8의 스핀-궤도 결합 모먼트 및 관련 물성에 관한 제일원리 연구 | - |
dc.identifier.CNRN | 325007 | - |
dc.description.department | 한국과학기술원 :물리학과, | - |
dc.description.isOpenAccess | 학위논문(박사) - 한국과학기술원 : 물리학과, 2021.8,[viii, 78 p. :] | - |
dc.publisher.country | 한국과학기술원 | - |
dc.type.journalArticle | Thesis(Ph.D) | - |
dc.contributor.alternativeauthor | 정민용 | - |
dc.subject.keywordAuthor | Lacunar spinel compound▼aGaTa4Se8▼aFirst-principles▼aDensity functional theory (DFT)▼aDynamical mean field theory (DMFT)▼aSpin-orbit coupling | - |
dc.subject.keywordAuthor | 라쿠나 스피넬 화합물▼a제일원리▼a밀도범함수이론▼a동적평균장이론▼a스핀-궤도 결합 | - |
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