183 citations · 420 across the 11 of their papers we have counts for
11 papers
Electronic Characterization of a Charge-Transfer Complex Monolayer on Graphene
Avijit Kumar, Kaustuv Banerjee, Mikko M. Ervasti +5
Organic charge-transfer complexes (CTCs) formed by strong electron acceptor and strong electron donor molecules are known to exhibit exotic effects such as superconductivity and ch…
Bimodal grain-size scaling of thermal transport in polycrystalline graphene from large-scale molecular dynamics simulations
Zheyong Fan, Petri Hirvonen, Luiz Pereira +5
Grain boundaries in graphene are inherent in wafer-scale samples prepared by chemical vapor deposition. They can strongly influence the mechanical properties and electronic and hea…
Thermal conductivity decomposition in two-dimensional materials: Application to graphene
Zheyong Fan, Luiz Felipe C. Pereira, Petri Hirvonen +5
Two-dimensional materials have unusual phonon structures due to the presence of flexural (out-of-plane) modes. Although molecular dynamics simulations have been extensively used to…
Single- and many-particle description of scanning tunneling spectroscopy
Mikko M. Ervasti, Fabian Schulz, Peter Liljeroth +1
Scanning tunneling spectroscopy measures how a single electron with definite energy propagates between a sample surface and the tip of a scanning tunneling microscope. In the simpl…
Multiscale modeling of polycrystalline graphene: A comparison of structure and defect energies of realistic samples from phase field crystal models
Petri Hirvonen, Mikko M. Ervasti, Zheyong Fan +7
We extend the phase field crystal (PFC) framework to quantitative modeling of polycrystalline graphene. PFC modeling is a powerful multiscale method for finding the ground state co…
Silicon and silicon-nitrogen impurities in graphene: structure, energetics and effects on electronic transport
Mikko M. Ervasti, Zheyong Fan, Andreas Uppstu +2
We theoretically study the atomic structure and energetics of silicon and silicon-nitrogen impurities in graphene. Using density-functional theory, we get insight into the atomic s…
Scaling behavior of spin transport in hydrogenated graphene
M. R. Thomsen, M. Ervasti, A. Harju +1
We calculate the spin transport of hydrogenated graphene using the Landauer-Büttiker formalism with a spin-dependent tight-binding Hamiltonian. The advantages of using this method…
Impurities and Landau level mixing in a fractional quantum Hall state in a flatband lattice model
Topi Siro, Mikko Ervasti, Ari Harju
We study the toplogical checkerboard lattice model around the fractional quantum Hall phase using numerical exact diagonalization without Landau level projections.…
Enhancement models of momentum densities of annihilating electron-positron pairs: the many-body picture of natural geminals
Ilja Makkonen, Mikko M. Ervasti, Topi Siro +1
The correlated motion of a positron surrounded by electrons is a fundamental many-body problem. We approach this by modeling the momentum density of annihilating electron-positron…
Scaling in the correlation energies of two-dimensional artificial atoms
Alexander Odriazola, Mikko M Ervasti, Ilja Makkonen +4
We find an unexpected scaling in the correlation energy of artificial atoms, i.e., harmonically confined two-dimensional quantum dots. The scaling relation is found through extensi…
Exchange-correlation potentials for inhomogeneous electron systems in two dimensions from exact diagonalization: comparison with the local-spin-density approximation
Ilja Makkonen, Mikko M. Ervasti, Ville Kauppila +1
We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies an…