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most citedComparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride

94 citations · 537 across the 35 of their papers we have counts for

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11 papers · 1 filter

cond-mat.mes-hall2020★ 4 cited

Heat generation due to the Anderson catastrophe in mesoscopic devices

A. V. Lebedev, V. M. Vinokur

Anderson's orthogonality catastrophe (AOC) theorem establishes that the ground state of the many-body fermion system is asymptotically orthogonal to the ground state of the same sy…

cond-mat.mes-hall2020★ 13 cited

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

Alexander V. Lebedev, Irina V. Lebedeva, Andrey M. Popov +3

We propose a hypothesis that the potential energy surface (PES) of interlayer interaction in diverse 2D materials can be universally described by the first spatial Fourier harmonic…

cond-mat.mes-hall2018★ 23 cited

Structure and energetics of carbon, hexagonal boron nitride and carbon/hexagonal boron nitride single-layer and bilayer nanoscrolls

Andrei I. Siahlo, Nikolai A. Poklonski, Alexander V. Lebedev +5

Single-layer and bilayer carbon and hexagonal boron nitride nanoscrolls as well as nanoscrolls made of bilayer graphene/hexagonal boron nitride heterostructure are considered. Stru…

cond-mat.mes-hall2017★ 32 cited

Stacking in incommensurate graphene/hexagonal-boron-nitride heterostructures based on ab initio study of interlayer interaction

Alexander V. Lebedev, Irina V. Lebedeva, Andrey M. Popov +1

The interlayer interaction in graphene/boron-nitride heterostructures is studied using density functional theory calculations with the correction for van der Waals interactions. It…

cond-mat.mes-hall2017★ 94 cited

Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride

Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov +1

Exchange-correlation functionals with corrections for van der Waals interactions (PBE-D2, PBE-D3, PBE-D3(BJ), PBE-TS, optPBE-vdW and vdW-DF2) are tested for graphene and hexagonal…

cond-mat.mes-hall2016★ 45 cited

Dislocations in stacking and commensurate-incommensurate phase transition in bilayer graphene and hexagonal boron nitride

Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov +1

Dislocations corresponding to a change of stacking in two-dimensional hexagonal bilayers, graphene and boron nitride, and associated with boundaries between commensurate domains ar…