研究生: |
洪聖雄 Hung, Sheng-Hsiung |
---|---|
論文名稱: |
Electronic and magnetic structure of layered metal hydroxides and topological phase transition in Lanthanide hexaborides 層狀金屬氧化物能帶與其磁性結構和鑭系六硼化物的拓樸相變 |
指導教授: |
鄭弘泰
Jeng, Horng-Tay |
口試委員: |
唐述中
仲崇厚 |
學位類別: |
碩士 Master |
系所名稱: |
理學院 - 物理學系 Department of Physics |
論文出版年: | 2015 |
畢業學年度: | 103 |
語文別: | 英文 |
論文頁數: | 63 |
中文關鍵詞: | 第一原理 、層狀結構 、近藤絕緣體 、鑭系六硼化物 |
外文關鍵詞: | Lanthanide hexaborides, divalent metal hydroxides |
相關次數: | 點閱:3 下載:0 |
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我們用基於密度泛函理論的編碼程式研究層狀氫氧化物的電子能帶與其雌性結構,和六硼化物的拓樸相變. 部分氫氧化物有反鐵慈半導體的。鑭系六硼化物有很多特別的物理性質,例如近藤絕緣體或強關聯電子系統。我們試著找出+U與其拓樸相變關係。
We use VASP code which is based on density functional and plane wave method to study the electronic structure of layered metal hydroxides, and topological phase transition of Lanthanide hexaborides. Some of layered metal hydroxides have antiferromagnetic insulator band structures. Lanthanide hexaborides have wide physics properties, such as Kondo effect or strong correlated f electrons. We try to find the most stable spin structure of Cobalt hydroxides and Iron hydroxides and topological phase transition of Lanthanide hexaborides with Hubbard +U parameters.
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