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ToBendOrNotToBend.pdf (13.22 MB)

To Bend or Not to Bend, the Dilemma of Multiple Bonds

preprint
submitted on 01.05.2019, 23:51 and posted on 03.05.2019, 15:48 by Michele Pizzocchero, Matteo Bonfanti, Rocco Martinazzo
The manuscript addresses the issue of the structural distortions occurring at multiple bonds between high main group elements, focusing on group 14. These distortions are known as trans-bending in silenes, disilenes and higher group analogues, and buckling in 2D materials likes silicene and germanene. A simple but correlated \sigma + \pi model is developed and validated with first-principles calculations, and used to explain the different behaviour of second- and higher- row elements.

History

Email Address of Submitting Author

rocco.martinazzo@unimi.it

Institution

Università degli Studi di Milano

Country

Italy

ORCID For Submitting Author

0000-0002-1077-251X

Declaration of Conflict of Interest

There is no conflict of interest

Version Notes

First version

Exports