Pseudo Jahn–Teller effect in the decasilanaphthalene molecule: Towards the origin of the buckling in silicene
作者： B. Molina , J.R. Soto , J.J. Castro
DOI: 10.1016/J.CHEMPHYS.2015.05.005
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摘要: Abstract It has been theoretically predicted that the ground state of free-standing silicene a periodic buckled structure, whose origin is attributed to puckering distortion on individual six-member rings. In this work we present theoretical analysis vibronic instability two hexagonal units (decasilanaphthalene molecule) D 2 h planar symmetry 3D puckered structure with C symmetry. Both, multilevel superposition model and possible mixing excited states different irreducible representations are studied. We show contrary one ring case, for decasilanaphthalene molecule, PJT does not provide satisfactory explanation proper description given by coupling quasi-degenerate states. Hence simple extrapolation in from n -hexagonal components straightforward.
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sci-hub.se 参考文章(30)
Isaac Bersuker, The Jahn-Teller Effect ,(2006)
Lan Chen, Cheng-Cheng Liu, Baojie Feng, Xiaoyue He, Peng Cheng, Zijing Ding, Sheng Meng, Yugui Yao, Kehui Wu, Evidence for Dirac fermions in a honeycomb lattice based on silicon. Physical Review Letters. ,vol. 109, pp. 056804- ,(2012) , 10.1103/PHYSREVLETT.109.056804
Patrick Vogt, Paola De Padova, Claudio Quaresima, Jose Avila, Emmanouil Frantzeskakis, Maria Carmen Asensio, Andrea Resta, Bénédicte Ealet, Guy Le Lay, Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon Physical Review Letters. ,vol. 108, pp. 155501- ,(2012) , 10.1103/PHYSREVLETT.108.155501
Seymur Cahangirov, Mehmet Topsakal, Ethem Aktürk, Hasan Şahin, Salim Ciraci, Two- and one-dimensional honeycomb structures of silicon and germanium. Physical Review Letters. ,vol. 102, pp. 236804- ,(2009) , 10.1103/PHYSREVLETT.102.236804
Shigeru Nagase, Hiroyuki Teramae, Takako Kudo, Hexasilabenzene (Si6H6). Is the benzene‐like D6h structure stable? The Journal of Chemical Physics. ,vol. 86, pp. 4513- 4517 ,(1987) , 10.1063/1.452726
Li Tao, Eugenio Cinquanta, Daniele Chiappe, Carlo Grazianetti, Marco Fanciulli, Madan Dubey, Alessandro Molle, Deji Akinwande, Silicene field-effect transistors operating at room temperature Nature Nanotechnology. ,vol. 10, pp. 227- 231 ,(2015) , 10.1038/NNANO.2014.325
Kyozaburo Takeda, Kenji Shiraishi, Theoretical possibility of stage corrugation in Si and Ge analogs of graphite Physical Review B. ,vol. 50, pp. 14916- 14922 ,(1994) , 10.1103/PHYSREVB.50.14916
D. Allen Clabo, Henry F. Schaefer, The silicon analog of benzene–hexasilabenzene (Si6H6) The Journal of Chemical Physics. ,vol. 84, pp. 1664- 1669 ,(1986) , 10.1063/1.450462
P. Vogt, P. Capiod, M. Berthe, A. Resta, P. De Padova, T. Bruhn, G. Le Lay, B. Grandidier, Synthesis and electrical conductivity of multilayer silicene Applied Physics Letters. ,vol. 104, pp. 021602- ,(2014) , 10.1063/1.4861857
Ungkil Kim, Ilsoo Kim, Yonghee Park, Ki-Young Lee, Sang-Youp Yim, Jae-Gwan Park, Hong-Gyu Ahn, Seung-Han Park, Heon-Jin Choi, Synthesis of Si Nanosheets by a Chemical Vapor Deposition Process and Their Blue Emissions ACS Nano. ,vol. 5, pp. 2176- 2181 ,(2011) , 10.1021/NN103385P