output
20052026
most citedWannier90 as a community code: new features and applications

1.9k citations

Showing 2016Show all

7 papers · 1 filter

cond-mat.mtrl-sci2016★ 16 cited

Breathing bands due to molecular order in CH3NH3PbI3

Malgorzata Wierzbowska, Juan Jose Melendez, Daniele Varsano

CH3NH3PbI3 perovskite is nowadays amongst the most promising photovoltaic materials for energy conversion. We have studied by ab-initio calculations, using several levels of approx…

physics.chem-ph2016★ 5 cited

Dissipation of the excess energy of the adsorbate- thermalization via electron transfer

Paweł Strak, Konrad Sakowski, Stanisław Krukowski

A new scenario of thermalization process of the adsorbate attached at solid surfaces is proposed. The scenario is based on existence of electric dipole layer in which the electron…

cond-mat.mtrl-sci2016★ 88 cited

Pressure and temperature driven phase transitions in HgTe quantum wells

S. S. Krishtopenko, I. Yahniuk, D. B. But +3

We present theoretical investigations of pressure and temperature driven phase transitions in HgTe quantum wells grown on CdTe buffer. Using the 8-band \textbf{kp} Hamiltoni…

cond-mat.mes-hall2016★ 55 cited

Phase transitions in two tunnel-coupled HgTe quantum wells. Bilayer graphene analogy and beyond

S. S. Krishtopenko, W. Knap, F. Teppe

HgTe quantum wells possess remarkable physical properties as for instance the quantum spin Hall state and the 'single-valley' analog of graphene, depending on their layer thickness…

math.NA2016★ 9 cited

On Composite Discontinuous Galerkin Method for simulations of electric properties of semiconductor devices

Konrad Sakowski, Leszek Marcinkowski, Pawel Strak +2

In this paper, a variant of discretization of the van Roosbroeck equations in the equilibrium state with the Composite Discontinuous Galerkin Method for the rectangular domain is d…

cond-mat.mtrl-sci2016★ 111 cited

Temperature-driven massless Kane fermions in HgCdTe crystals: verification of universal velocity and rest-mass description

F. Teppe, M. Marcinkiewicz, S. S. Krishtopenko +15

It has recently been shown that the electronic states in bulk gapless HgCdTe offer another realization of pseudo-relativistic three-dimensional particles in a condensed matter syst…

cond-mat.soft2016★ 31 cited

Impact of nanoparticles on pretransitional effects in liquid crystalline dodecylcyanobiphenyl

S. J. Rzoska S. Starzonek, A. Drozd-Rzoska, K. Czupryński +5

The pretransitional behavior of dodecylcyanobiphenyl (12CB) (isotropic-smectic-A-solid mesomorphism) with nm nanoparticles (NPs) linked the cubic phase was monit…