Zobrazeno 1 - 10
of 37
pro vyhledávání: '"Ervasti, Mikko M."'
Autor:
Kumar, Avijit, Banerjee, Kaustuv, Ervasti, Mikko M., Kezilebieke, Shawulienu, Dvorak, Marc, Rinke, Patrick, Harju, Ari, Liljeroth, Peter
Publikováno v:
ACS Nano 15(6), 9945 (2021)
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 charge density waves. We present a low-temperature scanning tunneling mi
Externí odkaz:
http://arxiv.org/abs/2102.09275
Autor:
Fan, Zheyong, Pereira, Luiz Felipe C., Hirvonen, Petri, Ervasti, Mikko M., Elder, Ken R., Donadio, Davide, Ala-Nissila, Tapio, Harju, Ari
Publikováno v:
Phys. Rev. B 95, 144309 (2017)
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 study heat transport in such materials, conventional formalisms treat
Externí odkaz:
http://arxiv.org/abs/1612.07199
Publikováno v:
J. Electron. Spectrosc. Relat. Phenom. 219, 63-71 (2017)
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 simplest description, the differential conductance measured is interpreted
Externí odkaz:
http://arxiv.org/abs/1607.00240
Autor:
Hirvonen, Petri, Ervasti, Mikko M., Fan, Zheyong, Jalalvand, Morteza, Seymour, Matthew, Allaei, S. Mehdi Vaez, Provatas, Nikolas, Harju, Ari, Elder, Ken R., Ala-Nissila, Tapio
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 configurations of large realistic samples that can be further used to st
Externí odkaz:
http://arxiv.org/abs/1605.03765
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 structures of the impurities, evaluate their formation energies and ass
Externí odkaz:
http://arxiv.org/abs/1509.00084
Publikováno v:
Physical Review B 89, 041105(R) (2014)
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 pairs using the framework of reduced density matrices, natural orbital
Externí odkaz:
http://arxiv.org/abs/1309.6886
Autor:
Odriazola, Alexander, Ervasti, Mikko M, Makkonen, Ilja, Delgado, Alain, González, Augusto, Räsänen, Esa, Harju, Ari
Publikováno v:
J. Phys.: Condens. Matter 25 (2013) 505504
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 extensive numerical examinations including Hartree-Fock, variational quantum
Externí odkaz:
http://arxiv.org/abs/1209.1408
Publikováno v:
Physical Review B 85, 205140 (2012)
We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we derive corresp
Externí odkaz:
http://arxiv.org/abs/1201.3913
Autor:
Fan, Zheyong, Pereira, Luiz Felipe C, Hirvonen, Petri, Ervasti, Mikko M., Elder, Ken R., Donadio, Davide, Ala-Nissilä, Tapio, Harju, Ari
Two-dimensional materials have unusual phonon spectra due to the presence of flexural (out-of-plane) modes. Although molecular dynamics simulations have been extensively used to study heat transport in such materials, conventional formalisms treat th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______661::8d88c7d493421c7bbf5cb11baad276e4
https://aaltodoc.aalto.fi/handle/123456789/25476
https://aaltodoc.aalto.fi/handle/123456789/25476
Autor:
Hirvonen, Petri, Ervasti, Mikko M., Fan, Zheyong, Jalalvand, Morteza, Seymour, Matthew, Vaez Allaei, S. Mehdi, Provatas, Nikolas, Harju, Ari, Elder, Ken R., Ala-Nissilä, Tapio
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 configurations of large realistic samples that can be further used to st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______661::7b4ba2657667cb96ad04e20b06692f90
https://aaltodoc.aalto.fi/handle/123456789/22903
https://aaltodoc.aalto.fi/handle/123456789/22903