Theoretical prediction of two-dimensional magnetic materials

来源 :2012年理论与高性能计算化学国际会议(ICT-HPCC12) | 被引量 : 0次 | 上传用户:Sherryduandian
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Using first-principles calculations,we show some interesting magnetic behaviors in two-dimensional atomic crystals.For pristine atomic crystals,it is difficult to get ordered spin structures.In our research,we will show that organic porous sheet has important magnetic behaviors,and demonstrate the existence of half-metallicity.Moreover,we will show that the ultrathin films of recently experimentally realized wurtzite MnO transform into a stable graphitic structure with ordered spin arrangement and the stability of graphitic structure can be enhanced by external strain.Furthomore,we found the antiferromagnetic ordering of graphitic MnO single layer can be switched into half-metallic ferromagnetism by slightly doping.
其他文献
会议
会议
会议
会议
会议
会议
Massive preparation of high quality graphene is critical for the wide application of graphene.Recently,chemical vapor deposition (CVD) of carbon sources on tran
会议
We are going to present the limits of carbon nanotubes (CNT) growth: (i) The limit of CNTs growth rate: In this study,a previously overlooked step of carbon nan
We propose a combined computational scheme to predict the thermoelectric properties of organic semiconductors,taking α-form phthalocyanine crystals H2Pc,CuPc,N
会议
Superhalogen species are kinds of molecular clusters consisting of highly electronegative ligands and central atoms 1a.The most important characteristics of sup