English | NanjingTech | Contact
专题讲座    
  科研信息   
  院务公告   
  学生事务   
  专题讲座   
  学术会议   
  IAM星火大讲堂   

当前位置: 网站首页 通知公告 专题讲座 正文
英国伦敦大学学院武威博士学术报告
 添加时间:2016/07/26 发布: 管理员
二维码

扫描二维码,在手机中查看。

报告时间:2016年7月30日上午10:30
报告地点:科技创新大楼C501室
报告题目:Theoretical modelling of electronic structure and exchange interactions in metal-phthalocyanines

 


Theoretical modelling of electronic structure and exchange interactions in metal-phthalocyanines

Wei Wu1,2,3    
Department of Materials and London Centre for Nanotechnology, Imperial College London1, UCL Department of Physics and Astronomy and London Centre for Nanotechnology, University College London2, Department of Chemistry, Imperial College3

 

 Organic magnets have recently attracted much attention owing to their chemical processibility, structural flexibility, and long spin-lattice relaxation time. Understanding exchange interaction in organic magnets provides a key foundation for quantum molecular magnetism, molecular spintronics, and quantum information processing [1-3]. We have systematically performed first-principles calculations using density functional theory for a range of chain geometries in lithium- (spin-1/2), cobalt- (spin-1/2), chromium- (spin-2), and copper (spin-1/2)-Pc molecular chains [1-2, 4-8]. In LiPc, we found spin density wave phase that could explain the previous experimental results, and a large exchange interaction up to 1000 K [6]. A combination of experiments and theoretical calculations has shown that in CoPc there is a high magnetic transition temperature well above the boiling point of liquid Nitrogen [7,8]. This large anti-ferromagnetic interaction, which is due to the out-of-plane orbital dz2, could be useful for spintronics and quantum information process. We have also assessed the potential of CrPc (spin-2) to test the Haldane’s conjecture of the spin excitation gap in the integer-spin chain [9].

Our calculations have not only rationalized the related experimental results, but also provided important guidance for the fabrication of spintronic materials with high-transition temperature and predicted interesting physics in these organic low dimensional strongly correlated systems.


References:
[1] S. Heutz, et. al., Adv. Mat., 19, 3618 (2007)
[2] Hai Wang, et. al., ACS Nano, 4, 3921 (2010)
[3] M. Warner, et. al., Nature, 503, 504 (2013)
[4] Wei Wu, et. al., Phys. Rev. B 77, 184403 (2008)
[5] Wei Wu, et. al., Phys. Rev. B 84, 024427  (2011)
[6] Wei Wu, et. al., Phys. Rev. B 88, 180404 (2013)
[7] Wei Wu, et. al., Phys. Rev. B 88, 024426 (2013)

 


Copyright ? 2017-2019 三昇体育平台_三昇体育(唯一)官网 All rights reserved.

官方微信
地址:南京市新模范马路5号138信箱 总共访问:   [旧版回顾]
电话: 025-83587982 邮件:iam@njtech.edu.cn
 
XML 地图 | Sitemap 地图