政大機構典藏-National Chengchi University Institutional Repository(NCCUR):Item 140.119/63526

English | 正體中文 | 简体中文 | Post-Print筆數 : 27 | Items with full text/Total items : 112721/143689 (78%)
Visitors : 49665686 Online Users : 632

RC Version 6.0 © Powered By DSPACE, MIT. Enhanced by NTU Library IR team.

Home ‧ Login ‧ Upload ‧ Help ‧ About ‧ Administer

政大典藏 > College of Science > Graduate Institute of Applied Physics > Periodical Articles > Item 140.119/63526

Please use this identifier to cite or link to this item: https://nccur.lib.nccu.edu.tw/handle/140.119/63526

Title:	Half-metallic antiferromagnetic nature of La2VTcO6 and La2VCuO6 from ab initio calculations
Authors:	郭光宇 Guo, Guang-Yu
Contributors:	應物所
Date:	2009.12
Issue Date:	2014-01-24 12:22:09 (UTC+8)
Abstract:	Electronic structure calculations based on density-functional theory with the generalized gradient approximation for 406 double perovskites have been performed using the accurate full-potential linearized augmented plane wave method. and are found to be candidates of half-metallic (HM) antiferromagnets (AFM) among the 406 ordered double perovskites with all the possible and pairs from all the , , and transition metals have been considered. Furthermore, the HM-AFM state in and survive the full lattice constant and atomic position optimizations which were carried out using the frozen-core full-potential projector-augmented wave method. In addition, the electronic structure calculations have also been performed and the HM-AFM state still remains. Their AFM state is attributed to both the superexchange and generalized double exchange mechanisms via the coupling, and the latter could also be the origin of their HM.
Relation:	Physical Review B, 80(22), 224-418
Data Type:	article
Appears in Collections:	[Graduate Institute of Applied Physics] Periodical Articles

Files in This Item:

File	Description	Size	Format
224418.pdf		615Kb	Adobe PDF2	1351	View/Open

社群 sharing

著作權政策宣告 Copyright Announcement

1.本網站之數位內容為國立政治大學所收錄之機構典藏，無償提供學術研究與公眾教育等公益性使用，惟仍請適度，合理使用本網站之內容，以尊重著作權人之權益。商業上之利用，則請先取得著作權人之授權。
The digital content of this website is part of National Chengchi University Institutional Repository. It provides free access to academic research and public education for non-commercial use. Please utilize it in a proper and reasonable manner and respect the rights of copyright owners. For commercial use, please obtain authorization from the copyright owner in advance.

2.本網站之製作，已盡力防止侵害著作權人之權益，如仍發現本網站之數位內容有侵害著作權人權益情事者，請權利人通知本網站維護人員(nccur@nccu.edu.tw)，維護人員將立即採取移除該數位著作等補救措施。
NCCU Institutional Repository is made to protect the interests of copyright owners. If you believe that any material on the website infringes copyright, please contact our staff(nccur@nccu.edu.tw). We will remove the work from the repository and investigate your claim.

Loading...