Authentication email has already been sent, please check your email box: and activate it as soon as possible.
You can login to My Profile and manage your email alerts.
If you haven’t received the email, please:
|
|
There are 2 papers published in subject: > since this site started. |
Results per page: |
Select Subject |
Select/Unselect all | For Selected Papers |
Saved Papers
Please enter a name for this paper to be shown in your personalized Saved Papers list
|
1. The first principle study of adsorption for two halogens on fused silica surface | |||
Zhang Cangsheng,Lu Pengfei | |||
Physics 31 October 2016 | |||
Show/Hide Abstract | Cite this paper︱Full-text: PDF (0 B) | |||
Abstract:Halogen is always brought by the process of wet etching for fused silica devices, which dramatically influence the performance of the devices. Using ab initio quantum mechanical methods we investigate the adsorption properties for halogen atoms (F, Cl) on fused silica surface. We focus on the interaction mechanisms of halogen atoms with two main surface defects and make comparison for the absorption capacity of different surface defects. Furthermore, the electronic structure for impurity defects are also studied. | |||
TO cite this article:Zhang Cangsheng,Lu Pengfei. The first principle study of adsorption for two halogens on fused silica surface[OL].[31 October 2016] http://en.paper.edu.cn/en_releasepaper/content/4708382 |
2. Structural, electronic, and magnetic properties of Yn (n = 2 - 20) clusters | |||
Wang Yanbiao ,Yunhai Li,Jilan Wang* | |||
Physics 13 December 2012 | |||
Show/Hide Abstract | Cite this paper︱Full-text: PDF (0 B) | |||
Abstract:We have carried out a gradient-corrected density functional theory calculation to investigate the structural, electronic, magnetic properties of Yn (n ≤ 20). The clusters exhibit high stability at n = 4, 7, 10, 13, 16, 18, a result of a coexistence of atomic motif and electronic ordering. The measured ionization energies are well reproduced. The average magnetic moment per atom shows a clearly size-dependent variation and is as high as 1.0μB for Y13. The measured moments can be overall understood as the average over different low-lying spin states of a given size. Ferromagnetic ordering is energetically preferred for clusters with n = 2 - 6, 13 - 15 and competes with ferrimagnetic ordering in the range n = 7 - 12. The first appearance of nonmagnetic state at n = 16 and nearly zero magnets for the sizes of n = 18 - 20 might provide an evidence that the approach to the paramagnetic nature of bulk yttrium. | |||
TO cite this article:Wang Yanbiao ,Yunhai Li,Jilan Wang*. Structural, electronic, and magnetic properties of Yn (n = 2 - 20) clusters[OL].[13 December 2012] http://en.paper.edu.cn/en_releasepaper/content/4503813 |
Select/Unselect all | For Selected Papers |
Saved Papers
Please enter a name for this paper to be shown in your personalized Saved Papers list
|
Results per page: |
About Sciencepaper Online | Privacy Policy | Terms & Conditions | Contact Us
© 2003-2012 Sciencepaper Online. unless otherwise stated