Comparison of electronic structure between monolayer silicenes on Ag (111)

doi:10.1088/1674-1056/24/8/087307

中国物理B ›› 2015, Vol. 24 ›› Issue (8): 87307-087307.doi: 10.1088/1674-1056/24/8/087307

• SPECIAL TOPIC—Silicene • 上一篇下一篇

Comparison of electronic structure between monolayer silicenes on Ag (111)

Chun-Liang Lin^a, Ryuichi Arafune^b, Maki Kawai^a, Noriaki Takagi^a

a Department of Advanced Materials Science, Graduate School of Frontier Science, The University of Tokyo, 5-1-5 Kashiwa, Chiba 277-8561, Japan;
b International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, 1-1 Namiki, Ibaraki 304-0044, Japan

收稿日期:2015-02-25 修回日期:2015-05-25 出版日期:2015-08-05 发布日期:2015-08-05
基金资助:
Project supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) through Grants-in-Aid for Scientific Research (Grant Nos. 24241040 and 25110008) and the World Premier International Research Center Initiative (WPI), MEXT, Japan.

Comparison of electronic structure between monolayer silicenes on Ag (111)

Chun-Liang Lin^a, Ryuichi Arafune^b, Maki Kawai^a, Noriaki Takagi^a

a Department of Advanced Materials Science, Graduate School of Frontier Science, The University of Tokyo, 5-1-5 Kashiwa, Chiba 277-8561, Japan;
b International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, 1-1 Namiki, Ibaraki 304-0044, Japan

Received:2015-02-25 Revised:2015-05-25 Online:2015-08-05 Published:2015-08-05
Contact: Chun-Liang Lin, Noriaki Takagi E-mail:clin@ams.k.u-tokyo.ac.jp;n-takagi@k.u-tokyo.ac.jp
Supported by:
Project supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) through Grants-in-Aid for Scientific Research (Grant Nos. 24241040 and 25110008) and the World Premier International Research Center Initiative (WPI), MEXT, Japan.

摘要/Abstract

摘要： The electronic structures of monolayer silicenes (4×4 and √13×√13R13.9^o) grown on Ag (111) surface are studied by scanning tunneling spectroscopy (STS) and density functional theory (DFT) calculations. While both phases have similar electronic structures around the Fermi level, significant differences are observed in the higher energy unoccupied states. The DFT calculations show that the contributions of Si 3p_z orbitals to the unoccupied states are different because of their different buckled configurations.

关键词: silicene, electronic structure, STM, DFT

Abstract: The electronic structures of monolayer silicenes (4×4 and √13×√13R13.9^o) grown on Ag (111) surface are studied by scanning tunneling spectroscopy (STS) and density functional theory (DFT) calculations. While both phases have similar electronic structures around the Fermi level, significant differences are observed in the higher energy unoccupied states. The DFT calculations show that the contributions of Si 3p_z orbitals to the unoccupied states are different because of their different buckled configurations.

Key words: silicene, electronic structure, STM, DFT

中图分类号: (Electronic structure of nanoscale materials and related systems)

73.22.-f

68.37.Ef (Scanning tunneling microscopy (including chemistry induced with STM)) 61.46.-w (Structure of nanoscale materials) 81.05.Zx (New materials: theory, design, and fabrication)

Chun-Liang Lin, Ryuichi Arafune, Maki Kawai, Noriaki Takagi. Comparison of electronic structure between monolayer silicenes on Ag (111)[J]. 中国物理B, 2015, 24(8): 87307-087307.

Chun-Liang Lin, Ryuichi Arafune, Maki Kawai, Noriaki Takagi. Comparison of electronic structure between monolayer silicenes on Ag (111)[J]. Chin. Phys. B, 2015, 24(8): 87307-087307.

参考文献 56

[1]	Takeda K and Shiraishi K 1994 Phys. Rev. B 50 14916
[2]	Cahangirov S, Topsakal M, Aktrük E, Sahin H and Ciraci S 2009 Phys. Rev. Lett. 102 236804
[3]	Liu C C Feng W and Yao Y 2011 Phys. Rev. Lett. 107 076802
[4]	Ezawa M 2012 J. Phys. Soc. Jpn. 81 064705
[5]	Ezawa M 2012 Phys. Rev. Lett. 109 055502
[6]	Drummond N D, Zólyomi V and Fal'ko V I 2012 Phys. Rev. B 85 075423
[7]	Kane C L and Mele E J 2005 Phys. Rev. Lett. 95 226801
[8]	De Padova P, Quaresima C, Ottaviani C, Sheverdyaeva P M, Moras P, Carbone C, Olivieri D T B, Kara A, Oughaddou H, Aufray B, and Le Lay G 2010 Appl. Phys. Lett. 96 261905
[9]	Lalmi B, Oughaddou H, Enriquez H, Kara A, Vizzini S, Ealet B and Aufray B 2010 Appl. Phys. Lett. 97 223109
[10]	Lin C L, Arafune R, Kawahara K, Tsukahara N, Minamitani E, Kim Y, Takagi N and Kawai M 2012 Appl. Phys. Express 5 045802
[11]	Vogt P, De Padova P, Quaresima C, Avila J, Frantzeskakis E, Asensio M C, Resta A, Ealet B and Le Lay G 2012 Phys. Rev. Lett. 108 155501
[12]	Meng L, Wang Y, Zhang L, Du S, Wu R, Li L, Zhang Y, Li G, Zhou H, Hofer W A and Gao H 2013 Nano Lett. 13 685
[13]	Fleurence A, Friedlein R, Ozaki T, Kawai H, Wang Y and Yamada-Takamura Y 2012 Phys. Rev. Lett. 108 245501
[14]	Chiappe D, Scalise E, Cinquanta E, Grazianetti C, van den Broek B, Fanciulli M, Houssa M and Molle A 2014 Adv. Mater. 26 2096
[15]	Jamgotchian H, Colignon Y, Hamzaoui N, Ealet B, Hoarau J Y, Aufray B and Bibérian J P 2012 J. Phys.: Condens. Matter 24 172001
[16]	Enriquez H, Vizzini S, Kara A, Lalmi B and Oughaddou H 2012 J. Phys.: Condens. Matter 24 314211
[17]	Feng B, Ding Z, Meng S, Yao Y, He X, Cheng P, Chen L and Wu K 2012 Nano Lett. 12 3507
[18]	Chen L, Liu C C, Feng B, He X, Cheng P, Ding Z, Meng S, Yao Y and Wu K 2012 Phys. Rev. Lett. 109 056804
[19]	Arafune R, Lin C L, Kawahara K, Tsukahara N, Minamitani E, Kim Y, Takagi N and Kawai M 2013 Surf. Sci. 608 297
[20]	Cinquanta E, Scalise E, Chiappe D, Grazianetti C, van den Broek B, Houssa M, Fanciulli M and Molle A 2013 J. Phys. Chem. C 117 16719
[21]	Fukaya Y, Mochizuki I, Maekawa M, Wada K, Hyodo T, Matsuda I and Kawasuso A 2013 Phys. Rev. B 88 205413
[22]	Chen L, Liu C C, Feng B, He X, Cheng P, Ding Z, Meng S, Yao Y and Wu K 2013 Phys. Rev. Lett. 110 229702
[23]	De Padova P, Vogt P, Resta A, Avila J, Razado-Colambo I, Quaresima C, Ottaviani C, Olivieri B, Bruhn T, Hirahara T, Shirai T, Hasegawa S, Asensio M C and Le Lay G 2013 Appl. Phys. Lett. 102 163106
[24]	De Padova P, Avila J, Resta A, Razado-Colambo I, Quaresima C, Ottaviani C, Olivieri B, Bruhn T, Vogt P, Asensio M C and Le Lay G 2013 J. Phys.: Condens. Matter 25 382202
[25]	Lin C L, Arafune R, Kawahara K, Kanno M, Tsukahara N, Minamitani E, Kim Y, Kawai M and Takagi N 2013 Phys. Rev. Lett. 110 076801
[26]	Arafune R, Lin C L, Nagao R, Kawai M and Takagi N 2013 Phys. Rev. Lett. 110 229701
[27]	Wang Y P and Cheng H P 2013 Phys. Rev. B 87 245430
[28]	Cahangirov S, Audiffred M, Tang P, Iacomino A, Duan W, Merino G and Rubio A 2013 Phys. Rev. B 88 035432
[29]	Moras P, Mentes T O, Sheverdyaeva P M, Locatelli A and Carbone C 2014 J. Phys.: Condens. Matter 26 185001
[30]	Kawahara K, Shirasawa T, Arafune R, Lin C L, Takahashi T, Kawai M and Takagi N 2014 Surf. Sci. 623 25
[31]	Sone J, Yamagami T, Aoki Y, Nakatsuji K and Hirayama H 2014 New J. Phys. 16 095004
[32]	Shirai T, Shirasawa T, Hirahara T, Fukui N, Takahashi T and Hasegawa S 2014 Phys. Rev. B 89 241403
[33]	Pflugradt P, Matthes L and Bechstedt F 2014 Phys. Rev. B 89 035403
[34]	Scalise E, Cinquanta E, Houssa M, van den Broek B, Chiappe D, Grazianetti C, Pourtois G, Ealet B, Molle A, Fanciulli M, Afanas'ev V V and Stesmans A 2014 Appl. Surf. Sci. 291 113
[35]	Tchalala M R, Enriquez H, Yildirim H, Kara A, Mayne A J, Dujardin G, Ali M A and Oughaddou H 2014 Appl. Surf. Sci. 303 61
[36]	Yuan Y, Quhe R, Zheng J, Wang Y, Ni Z, Shi J and Lu J 2014 Physica E 58 38
[37]	Mahatha S K, Moras P, Bellini V, Sheverdyaeva P M, Struzzi C, Petaccia L and Carbone C 2014 Phys. Rev. B 89 201416
[38]	Stephan R, Hanf M C and Sonnet P 2015 J. Phys.: Condens. Matter 27 015002
[39]	Ishida H, Hamamoto Y, Morikawa Y, Minamitani E, Arafune R and Takagi N 2015 New J. Phys. 17 015013
[40]	Tao L, Cinquanta E, Chiappe D, Grazianetti C, Fanciulli M, Dubey M, Molle A and Akinwande D 2015 Nat. Nanotechnol. 10 227
[41]	Kresse G and Furthmüller J 1996 Phys. Rev. B 56 11169
[42]	Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15
[43]	Blöchl P E 1994 Phys. Rev. B 24 17953
[44]	Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[45]	Feng M, Zhao J and Petek H 2008 Science 320 359
[46]	Yang M C, Lin C L, Su W B, Lin S P, Lu S M, Lin H Y, Chang C S, Hsu W K and Tsong T T 2009 Phys. Rev. Lett. 102 196102
[47]	Lin C L, Yang M C, Su W B, Lin S P, Lu S M, Lin H Y, Chang C S, Fu T Y and Tsong T T 2010 Chin. J. Phys. 48 855
[48]	Miller T, McMahon W E and Chiang T C 1996 Phys. Rev. Lett. 77 1167
[49]	Pontius N, Sametoglu V and Petek H 2005 Phys. Rev. B 72 115105
[50]	Winkelmann A, Sametoglu V, Zhao J, Kubo A and Petek H 2007 Phys. Rev. B 76 195428
[51]	N'Diaye A T, Bleikamp S, Feibelman P J and Michely T 2006 Phys. Rev. Lett. 97 215501
[52]	Sutter P, Sadowski J T and Sutter E 2009 Phys. Rev. B 80 245411
[53]	Vázquez de Parga A L, Calleja F, Borca B, Passeggi M C G, Hinarejos J J, Guinea F and Miranda R 2008 Phys. Rev. Lett. 100 056807
[54]	Gao L, Guest J R and Guisinger N P 2010 Nano Lett. 10 3512
[55]	Joshi S, Ecija D, Koitz R, Iannuzzi M, Seitsonen A P, Hutter J, Sachdev H, Vijayaraghavan S, Bischoff F, Seufert K, Barth J V and Auwärter W 2012 Nano Lett. 12 5821
[56]	Liu Z L, Wang M X, Xu J P, Ge J F, Le Lay G, Vogt P, Qian D, Gao C L, Liu C and Jia J F 2014 New J. Phys. 16 075006

Comparison of electronic structure between monolayer silicenes on Ag (111)

Comparison of electronic structure between monolayer silicenes on Ag (111)

RichHTML

PDF (PC)

赞

可视化

摘要/Abstract

引用本文

使用本文

参考文献 56

相关文章 15

Metrics

本文评价

推荐阅读 0

[1]	Yuanqi Jiang(蒋元祺), Ping Peng(彭平). Predicting novel atomic structure of the lowest-energy Fe_nP_13-n(n=0-13) clusters: A new parameter for characterizing chemical stability[J]. 中国物理B, 2023, 32(4): 47102-047102.
[2]	Ming Yan(闫明), Zhi-Yuan Xie(谢志远), and Miao Gao(高淼). High-temperature ferromagnetism and strong π-conjugation feature in two-dimensional manganese tetranitride[J]. 中国物理B, 2023, 32(3): 37104-037104.
[3]	Nan Gao(高楠), Guodong Zhu(朱国栋), Yingzhou Huang(黄映洲), and Yurui Fang(方蔚瑞). Plasmonic hybridization properties in polyenes octatetraene molecules based on theoretical computation[J]. 中国物理B, 2023, 32(3): 37102-037102.
[4]	Di Wang(汪迪), Qiao Zhou(周悄), Qiang Wei(魏强), and Peng Song(宋朋). Effects of π-conjugation-substitution on ESIPT process for oxazoline-substituted hydroxyfluorenes[J]. 中国物理B, 2023, 32(2): 28201-028201.
[5]	Ke Xu(徐可), Junsheng Feng(冯俊生), and Hongjun Xiang(向红军). Computational studies on magnetism and ferroelectricity[J]. 中国物理B, 2022, 31(9): 97505-097505.
[6]	Jing Wang(王静), Meysam Bagheri Tagani, Li Zhang(张力), Yu Xia(夏雨), Qilong Wu(吴奇龙), Bo Li(黎博), Qiwei Tian(田麒玮), Yuan Tian(田园), Long-Jing Yin(殷隆晶), Lijie Zhang(张利杰), and Zhihui Qin(秦志辉). Selective formation of ultrathin PbSe on Ag(111)[J]. 中国物理B, 2022, 31(9): 96801-096801.
[7]	Jia-Jun Ma(马佳俊), Kang Wu(吴康), Zhen-Yu Wang(王振宇), Rui-Song Ma(马瑞松), Li-Hong Bao(鲍丽宏), Qing Dai(戴庆), Jin-Dong Ren(任金东), and Hong-Jun Gao(高鸿钧). Monolayer MoS₂ of high mobility grown on SiO₂ substrate by two-step chemical vapor deposition[J]. 中国物理B, 2022, 31(8): 88105-088105.
[8]	Gang Wu(吴刚), Lu Wang(王璐), Kuo Bao(包括), Xianli Li(李贤丽), Sheng Wang(王升), and Chunhong Xu(徐春红). Bandgap evolution of Mg₃N₂ under pressure: Experimental and theoretical studies[J]. 中国物理B, 2022, 31(6): 66205-066205.
[9]	Yan-Ling Xiong(熊艳翎), Jia-Qi Guan(关佳其), Rui-Feng Wang(汪瑞峰), Can-Li Song(宋灿立), Xu-Cun Ma(马旭村), and Qi-Kun Xue(薛其坤). Experimental observation of pseudogap in a modulation-doped Mott insulator: Sn/Si(111)-(√30×√30)R30°[J]. 中国物理B, 2022, 31(6): 67401-067401.
[10]	Bo-Shen Zhou(周博深), Hao-Ran Gao(高浩然), Yu-Chen Liu(刘雨辰), Zi-Mu Li(李子木),Yang-Yang Huang(黄阳阳), Fu-Chun Liu(刘福春), and Xiao-Chun Wang(王晓春). First principles investigation on Li or Sn codoped hexagonal tungsten bronzes as the near-infrared shielding material[J]. 中国物理B, 2022, 31(5): 57804-057804.
[11]	Kui Huang(黄逵), Zhenxian Li(李政贤), Deping Guo(郭的坪), Haifeng Yang(杨海峰), Yiwei Li(李一苇),Aiji Liang(梁爱基), Fan Wu(吴凡), Lixuan Xu(徐丽璇), Lexian Yang(杨乐仙), Wei Ji(季威),Yanfeng Guo(郭艳峰), Yulin Chen(陈宇林), and Zhongkai Liu(柳仲楷). Measurement of electronic structure in van der Waals ferromagnet Fe_5-xGeTe₂[J]. 中国物理B, 2022, 31(5): 57404-057404.
[12]	Xiaobing Fan(范小兵), Shikai Xiang(向士凯), and Lingcang Cai(蔡灵仓). Temperature dependence of bismuth structures under high pressure[J]. 中国物理B, 2022, 31(5): 56101-056101.
[13]	Zhengran Wang(王正然), Qiao Zhou(周悄), Bifa Cao(曹必发), Bo Li(栗博), Lixia Zhu(朱丽霞), Xinglei Zhang(张星蕾), Hang Yin(尹航), and Ying Shi(石英). Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand[J]. 中国物理B, 2022, 31(4): 48202-048202.
[14]	Humberto Noverola-Gamas, Luis Manuel Gaggero-Sager, and Outmane Oubram. Nonlinear optical properties in n-type quadruple δ-doped GaAs quantum wells[J]. 中国物理B, 2022, 31(4): 44203-044203.
[15]	Shen-Yang Su(苏申阳), Xiu-Ning Liang(梁秀宁), and Hua Fang(方华). A DFT/TD-DFT study of effect of different substituent on ESIPT fluorescence features of 2-(2'-hydroxyphenyl)-4-chloro- methylthiazole derivatives[J]. 中国物理B, 2022, 31(3): 38202-038202.