Zobrazeno 1 - 10
of 342
pro vyhledávání: '"SUSI, TOMA"'
Autor:
Längle, Manuel, Mayer, Barbara Maria, Madsen, Jacob, Propst, Diana, Bo, Arixin, Kofler, Clara, Hana, Vinzent, Mangler, Clemens, Susi, Toma, Kotakoski, Jani
Monolayer hexagonal boron nitride (hBN) has recently become the focus of intense research as a material to host quantum emitters. Although it is well known that such emission is associated with point defects, so far no conclusive correlation between
Externí odkaz:
http://arxiv.org/abs/2404.07166
Autor:
Mortensen, Jens Jørgen, Larsen, Ask Hjorth, Kuisma, Mikael, Ivanov, Aleksei V., Taghizadeh, Alireza, Peterson, Andrew, Haldar, Anubhab, Dohn, Asmus Ougaard, Schäfer, Christian, Jónsson, Elvar Örn, Hermes, Eric D., Nilsson, Fredrik Andreas, Kastlunger, Georg, Levi, Gianluca, Jónsson, Hannes, Häkkinen, Hannu, Fojt, Jakub, Kangsabanik, Jiban, Sødequist, Joachim, Lehtomäki, Jouko, Heske, Julian, Enkovaara, Jussi, Winther, Kirsten Trøstrup, Dulak, Marcin, Melander, Marko M., Ovesen, Martin, Louhivuori, Martti, Walter, Michael, Gjerding, Morten, Lopez-Acevedo, Olga, Erhart, Paul, Warmbier, Robert, Würdemann, Rolf, Kaappa, Sami, Latini, Simone, Boland, Tara Maria, Bligaard, Thomas, Skovhus, Thorbjørn, Susi, Toma, Maxson, Tristan, Rossi, Tuomas, Chen, Xi, Schmerwitz, Yorick Leonard A., Schiøtz, Jakob, Olsen, Thomas, Jacobsen, Karsten Wedel, Thygesen, Kristian Sommer
Publikováno v:
Journal of Chemical Physics 160, 092503 (2024)
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density functional theory (DFT) equations using three different wave-function
Externí odkaz:
http://arxiv.org/abs/2310.14776
Autor:
Bui, Thuy An, Leuthner, Gregor T., Madsen, Jacob, Monazam, Mohammad R. A., Chirita, Alexandru I., Postl, Andreas, Mangler, Clemens, Kotakoski, Jani, Susi, Toma
Understanding electron irradiation effects is vital not only for reliable transmission electron microscopy characterization, but increasingly also for the controlled manipulation of two-dimensional materials. The displacement cross sections of monola
Externí odkaz:
http://arxiv.org/abs/2303.00497
Autor:
Speckmann, Carsten, Lang, Julia, Madsen, Jacob, Monazam, Mohammad Reza Ahmadpour, Zagler, Georg, Leuthner, Gregor T., McEvoy, Niall, Mangler, Clemens, Susi, Toma, Kotakoski, Jani
Electron irradiation-induced damage is often the limiting factor in imaging materials prone to ionization or electronic excitations due to inelastic electron scattering. Quantifying the related processes at the atomic scale has only become possible w
Externí odkaz:
http://arxiv.org/abs/2302.10529
Charge transfer between atoms is fundamental to chemical bonding but has remained very challenging to detect directly in real space. Atomic-resolution imaging of charge density is not sufficient by itself, as the change in the density due to bonding
Externí odkaz:
http://arxiv.org/abs/2301.04469
Autor:
Trentino, Alberto, Zagler, Georg, Längle, Manuel, Madsen, Jacob, Susi, Toma, Mangler, Clemens, Åhlgren, E. Harriet, Mustonen, Kimmo, Kotakoski, Jani
Publikováno v:
In Micron September 2024 184
Autor:
Postl, Andreas, Hilgert, Pit Pascal Patrick, Markevich, Alexander, Madsen, Jacob, Mustonen, Kimmo, Kotakoski, Jani, Susi, Toma
Publikováno v:
Carbon 196, 596-601 (2022)
Although surface diffusion is critical for many physical and chemical processes, including the epitaxial growth of crystals and heterogeneous catalysis, it is particularly challenging to directly study. Here, we estimate the carbon adatom migration b
Externí odkaz:
http://arxiv.org/abs/2202.04485
Autor:
Langer, Rostislav, Mustonen, Kimmo, Markevich, Alexander, Otyepka, Michal, Susi, Toma, Błoński, Piotr
Doping of the graphene lattice with transition metal atoms resulting in high magnetic anisotropy energy (MAE) is an important goal of materials research owing to its potential application in spintronics. In this article, by using spin-polarized densi
Externí odkaz:
http://arxiv.org/abs/2201.03867
Autor:
Golze, Dorothea, Hirvensalo, Markus, Hernández-León, Patricia, Aarva, Anja, Etula, Jarkko, Susi, Toma, Rinke, Patrick, Laurila, Tomi, Caro, Miguel A.
Publikováno v:
Chem. Mater. (2022)
We present a quantitatively accurate machine-learning (ML) model for the computational prediction of core-electron binding energies, from which x-ray photoelectron spectroscopy (XPS) spectra can be readily obtained. Our model combines density functio
Externí odkaz:
http://arxiv.org/abs/2112.06551
Autor:
Chirita, Alexandru, Markevich, Alexander, Tripathi, Mukesh, Pike, Nicholas A., Verstraete, Matthieu J., Kotakoski, Jani, Susi, Toma
Publikováno v:
Physical Review B 105, 235419 (2022)
Elastic knock-on is the main electron irradiation damage mechanism in metals including graphene. Atomic vibrations influence its cross-section, but only the out-of-plane direction has been considered so far in the literature. Here, we present a full
Externí odkaz:
http://arxiv.org/abs/2111.14498