scholarly journals Interlayer interaction and related properties of bilayer hexagonal boron nitride: ab initio study

RSC Advances ◽  
2016 ◽  
Vol 6 (8) ◽  
pp. 6423-6435 ◽  
Author(s):  
Alexander V. Lebedev ◽  
Irina V. Lebedeva ◽  
Andrey A. Knizhnik ◽  
Andrey M. Popov
Keyword(s):  
Boron Nitride ◽  
Potential Energy ◽  
Formation Energy ◽  
Energy Surface ◽  
Hexagonal Boron Nitride ◽  
Mode Frequency ◽  
Shear Mode ◽  
Ab Initio Study ◽  
Interlayer Interaction ◽  
Fourier Harmonics

Properties of hexagonal boron nitride bilayer related to interlayer interaction (width and formation energy of dislocations, shear mode frequency, etc.) are estimated by approximation of potential energy surface by first Fourier harmonics.

scholarly journals Universal description of potential energy surface of interlayer interaction in two-dimensional materials by first spatial Fourier harmonics

2020 ◽  
Vol 102 (4) ◽  
Author(s):  
Alexander V. Lebedev ◽  
Irina V. Lebedeva ◽  
Andrey M. Popov ◽  
Andrey A. Knizhnik ◽  
Nikolai A. Poklonski ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Two Dimensional ◽  
Interlayer Interaction ◽  
Two Dimensional Materials ◽  
Fourier Harmonics

scholarly journals Correction: Interlayer interaction and related properties of bilayer hexagonal boron nitride: ab initio study

RSC Advances ◽  
2016 ◽  
Vol 6 (40) ◽  
pp. 33945-33945 ◽  
Author(s):  
Alexander V. Lebedev ◽  
Irina V. Lebedeva ◽  
Andrey A. Knizhnik ◽  
Andrey M. Popov
Keyword(s):  
Boron Nitride ◽  
Ab Initio ◽  
Hexagonal Boron Nitride ◽  
Ab Initio Study ◽  
Interlayer Interaction

Correction for ‘Interlayer interaction and related properties of bilayer hexagonal boron nitride: ab initio study’ by Alexander V. Lebedev et al., RSC Adv., 2016, 6, 6423–6435.

Electron Affinity of Hydrogen Peroxide and the [H2,O2]•-Potential Energy Surface. A Comparative DFT and ab Initio Study

1996 ◽  
Vol 100 (1) ◽  
pp. 100-110 ◽  
Author(s):  
Jan Hrušák ◽  
Heike Friedrichs ◽  
Helmut Schwarz ◽  
Holy Razafinjanahary ◽  
Henry Chermette
Keyword(s):  
Hydrogen Peroxide ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Electron Affinity ◽  
Energy Surface ◽  
Ab Initio Study

An ab initio study of the potential energy surface of methylamine dimer

2002 ◽  
Vol 586 (1-3) ◽  
pp. 225-234 ◽  
Author(s):  
Enrique M Cabaleiro-Lago ◽  
Jesús Rodrı́guez-Otero
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Ab Initio Study

Diamond Nucleation on Hexagonal Boron Nitride: An ab Initio Study of Energetics

1995 ◽  
Vol 99 (34) ◽  
pp. 12781-12785 ◽  
Author(s):  
E. Johansson ◽  
K. Larsson ◽  
J.-O. Carlsson
Keyword(s):  
Boron Nitride ◽  
Ab Initio ◽  
Hexagonal Boron Nitride ◽  
Ab Initio Study ◽  
Diamond Nucleation
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