scholarly journals Twisted Graphene Bilayers and Quasicrystals: A Cut and Projection Approach

Crystals ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 519
Author(s):  
José L. Aragón ◽  
Gerardo G. Naumis ◽  
Alfredo Gómez-Rodríguez

In this work, a modified version of the cut and projection approach is proposed to describe the structure of graphene bilayers with twist angles. With this method, the rotation between two graphene layers is viewed as a rotation of the projection space and the resulting projected structure is interpreted as the set of points of best fit between the two rotated structures. Additionally, focus is given to the pertinence of the many algebraic and geometric tools used in grain boundaries and in quasicrystals to graphene bilayer system (or any other bilayer system, for that matter) case.

2014 ◽  
Vol 2 (27) ◽  
pp. 5404-5410 ◽  
Author(s):  
M. Z. Iqbal ◽  
M. F. Khan ◽  
M. W. Iqbal ◽  
Jonghwa Eom

Deep ultraviolet irradiation tunes the electronic properties of mechanically exfoliated single-layer graphene, bilayer graphene, and trilayer graphene while maintaining their unique band structure and electrical properties.


2013 ◽  
Vol 4 (1) ◽  
Author(s):  
Wei Yan ◽  
Wen-Yu He ◽  
Zhao-Dong Chu ◽  
Mengxi Liu ◽  
Lan Meng ◽  
...  

2015 ◽  
Vol 106 (10) ◽  
pp. 103107 ◽  
Author(s):  
R. Othmen ◽  
H. Arezki ◽  
H. Ajlani ◽  
A. Cavanna ◽  
M. Boutchich ◽  
...  

2013 ◽  
Vol 111 (6) ◽  
Author(s):  
Wen-Yu He ◽  
Zhao-Dong Chu ◽  
Lin He

2012 ◽  
Vol 100 (9) ◽  
pp. 091601 ◽  
Author(s):  
Lan Meng ◽  
Yanfeng Zhang ◽  
Wei Yan ◽  
Lei Feng ◽  
Lin He ◽  
...  

2018 ◽  
Vol 8 (1) ◽  
Author(s):  
Jeremy T. Robinson ◽  
James Culbertson ◽  
Morgann Berg ◽  
Taisuke Ohta

2018 ◽  
Vol 120 (15) ◽  
Author(s):  
Loïc Huder ◽  
Alexandre Artaud ◽  
Toai Le Quang ◽  
Guy Trambly de Laissardière ◽  
Aloysius G. M. Jansen ◽  
...  

The first calculation of a molecular wavefunction and energy by the solution of the appropriate transcorrelated wave equation ( C -1 HC – W )ϕ = 0 has been made for LiH. The results are in accord with the high accuracy found for the Ne atom by Handy & Boys (1968 c ). The spherical symmetry of the Ne problem gave such advantages that the integrals could virtually be evaluated exactly. The new problem of evaluating these integrals for functions about the many nuclei has now been overcome by a particular numerical integration procedure which gives a much higher accuracy in the energy than corresponds to the accuracy of integration for an ordinary integral. Hence a set of points which is much more restricted in number than otherwise can be used. The error per electron is nearly as small as 1 % of a bond energy, and it is reasonable to expect that later applications of this method will easily surpass this accuracy for a wide range of molecules, and for reacting systems. The method depends on the direct introduction of functions of r ij into the correlation factor in a way applicable to any molecule and the successful implementation of this for the first molecule may provide a turning point in methods of theoretical chemical prediction. The preparation of the whole set of programs requires less than one man year and the general characteristics are those of a method which is much simpler than the previous methods which do not appear capable of this level of accuracy.


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