scholarly journals Structural and Electronic Properties of Low-Dimensional C-Nanoassemblies and Possible Analogues for Si (and Ge)

2011 ◽  
Vol 2011 ◽  
pp. 1-9 ◽  
Author(s):  
N. H. March ◽  
A. Rubio

The delocalised nature ofπ-electrons in carbon-based compounds has opened a huge path for new fundamental and technological developments using carbon-based materials of different dimensionality (from clusters, to surfaces, nanotubes and graphene, among others). The success of this field has prompted the proposal that other inorganic structures based on B and N and more recently on Si and Ge could be formed with specific structural, mechanical, and electronic properties. In this paper we provide an analysis of the similarities of the two fields starting from the analysis of the Si6H6molecule, the analogue of the benzene molecule but now being nonplanar. Then we move to the study of the two-dimensional (buckled) analogues of graphene but now formed by Si and Ge. Similarly, we look to nonplanar compounds based on boron and boron-carbon nitrogen composites. In particular, we focus on the mechanical properties of those new materials that exhibit a very high stiffness, resilience, and flexibility. Possible applications in the fields of catalysis, lubrication, electronic, and photonic devices now seem a likely by-product. We also address future directions triggered by the predicted superconducting properties of graphene, among other areas.

2006 ◽  
Vol 96 (21) ◽  
Author(s):  
Robin Carter ◽  
Jeremy Sloan ◽  
Angus I. Kirkland ◽  
Rüdiger R. Meyer ◽  
Phillip J. D. Lindan ◽  
...  

1997 ◽  
Vol 56 (19) ◽  
pp. 12589-12598 ◽  
Author(s):  
Christopher J. Baddeley ◽  
Andrew W. Stephenson ◽  
Christopher Hardacre ◽  
Mintcho Tikhov ◽  
Richard M. Lambert

2004 ◽  
Vol 808 ◽  
Author(s):  
Wolfhard Beyer ◽  
Reinhard Carius ◽  
Michael Lejeune ◽  
Uwe Zastrow

ABSTRACTStructural and electronic properties of SiCl4-based microcrystalline silicon films were studied. A rather dense (non-porous) material structure is obtained near the transition to amorphous material, in particular at substrate temperatures of 250°C and above. Boron doping results in very high conductivity values while for phosphorus doping only lower values are reached. This latter effect is attributed to a different microstructure with lower crystalline fraction, higher hydrogen and chlorine content and increased porosity in highly phosphorus- doped material.


Doklady BGUIR ◽  
2020 ◽  
Vol 18 (7) ◽  
pp. 87-95
Author(s):  
M. S. Baranava ◽  
P. A. Praskurava

The search for fundamental physical laws which lead to stable high-temperature ferromagnetism is an urgent task. In addition to the already synthesized two-dimensional materials, there remains a wide list of possible structures, the stability of which is predicted theoretically. The article suggests the results of studying the electronic properties of MAX3 (M = Cr, Fe, A = Ge, Si, X = S, Se, Te) transition metals based compounds with nanostructured magnetism. The research was carried out using quantum mechanical simulation in specialized VASP software and calculations within the Heisenberg model. The ground magnetic states of twodimensional MAX3 and the corresponding energy band structures are determined. We found that among the systems under study, CrGeTe3 is a semiconductor nanosized ferromagnet. In addition, one is a semiconductor with a bandgap of 0.35 eV. Other materials are antiferromagnetic. The magnetic moment in MAX3 is localized on the transition metal atoms: in particular, the main one on the d-orbital of the transition metal atom (and only a small part on the p-orbital of the chalcogen). For CrGeTe3, the exchange interaction integral is calculated. The mechanisms of the formation of magnetic order was established. According to the obtained exchange interaction integrals, a strong ferromagnetic order is formed in the semiconductor plane. The distribution of the projection density of electronic states indicates hybridization between the d-orbital of the transition metal atom and the p-orbital of the chalcogen. The study revealed that the exchange interaction by the mechanism of superexchange is more probabilistic.


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