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题目: Community structure detection in social networks based on dictionary learning
期刊: Science China Information Sciences
卷期号: 56 (7)
页码: 1-12
作者: ZhongYuan Zhang
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First-Principles Study of the Electronic Properties of B/N Atom Doped Silicene Nanoribbons



作者: Luan, HX (Luan, Hang-Xing)[ 1 ] ; Zhang, CW (Zhang, Chang-Wen)[ 1 ] ; Zheng, FB (Zheng, Fu-Bao)[ 1 ] ; Wang, PJ (Wang, Pei-Ji)[ 1 ]



来源出版物: JOURNAL OF PHYSICAL CHEMISTRY C  卷:117   期:26   页:13620-13626   DOI:10.1021/jp4005357   出版年:JUL 4 2013



被引频次: 0 (来自 Web of Science)



引用的参考文献: 37      [ 查看 Related Records ]     引证关系图     



摘要: On the basis of first-principles calculations, we study the geometric, electronic, and magnetic properties of silicene nanoribbons (SiNRs) doped by the boron/nitrogen (B/N) bonded pair at different sites. Total energies analysis indicate that the B/N pair tends to be doped at the edge of SiNRs and that the B/N pair doping in the armchair SiNRs (ASiNRs) is easier to carry out than the unbonded B/N pair doping in ASiNRs. Different from the metallic states associated with the singly substituted N or B atom at the edge in ASiNRs, the B/N bonded pair doping results in a semiconducting character, where the energy gap of ASINR can be adjusted, dependent on the B/N pair doping sites in ASiNR. For zigzag SiNRs (ZSiNRs), the introduction of the B/N pair results in a transition from nonmagnetic to spin-polarized states, which is attributed to the perturbation of pi and pi states localized at the doped ZSiNR edge. More importantly, the marvelous spin gapless semiconductor character with 100% spin polarized currents around the Fermi level has been obtaind, when the substitutional B/N pair located at the edge or subedge sites in ZSiNIts. These findings present a possible avenue for energy band and magnetism engineering in SiNR and benefit the design of silicene-based electronic devices.



入藏号:WOS:000321542000032



文献类型: Article



语种: English



KeyWords Plus: TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; MAGNETIC-PROPERTIES; GRAPHENE; SEMICONDUCTORS; HYDROGENATION



通讯作者地址: Zhang, CW (通讯作者)




Univ Jinan, Sch Phys & Technol, Jinan 250022, Shandong, Peoples R China.






地址:




[ 1 ] Univ Jinan, Sch Phys & Technol, Jinan 250022, Shandong, Peoples R China






电子邮件地址: zhchwsd@163.com



基金资助致谢:






基金资助机构

授权号



National Natural Science Foundation of China


61076088

11274143

60471042



Technological Development Program in Shandong Province Education Department


J10LA16




[显示基金资助信息]   





出版商:AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA



Web of Science 类别: Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary



研究方向: Chemistry; Science & Technology - Other Topics; Materials Science



IDS 号:179SQ



ISSN:1932-7447
4楼2013-09-13 16:42:56
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★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
oven1986: 金币+2, 感谢应助! 2013-09-12 10:59:49
shamolvzhou: 金币+10 2013-09-12 11:31:35
oven1986: 检索EPI+1, 感谢你的应助! 2013-09-12 14:36:33
目前SCI是未检索到啊
你自己检索下看看吧
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2楼2013-09-12 10:24:00
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oven1986: 金币+1, 感谢回帖! 2013-09-12 10:59:57
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发错了,不好意思
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