Zobrazeno 1 - 10
of 39
pro vyhledávání: '"Matúš Dubecký"'
Autor:
Roman Fanta, Matúš Dubecký
Publikováno v:
JPhys Materials, Vol 6, Iss 4, p 045004 (2023)
Computational materials science relies on simple, yet efficient, measures and indicators of the modeled materials’ properties. Ideally, the desired properties should be linked to such scalar quantities that can be obtained in polynomial time and ef
Externí odkaz:
https://doaj.org/article/60994739a9c941058438ab79b39d3b2e
Autor:
Jiří Tuček, Kateřina Holá, Athanasios B. Bourlinos, Piotr Błoński, Aristides Bakandritsos, Juri Ugolotti, Matúš Dubecký, František Karlický, Václav Ranc, Klára Čépe, Michal Otyepka, Radek Zbořil
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-12 (2017)
Developing room-temperature magnets from materials containing onlysporbitals has remained an elusive but important goal. Here, Zbořil and co-workers report hydroxofluorographenes that exhibit room-temperature antiferromagnetic ordering and low-tempe
Externí odkaz:
https://doaj.org/article/5233cb3d420b4bcfa5413c5ddb72233a
Autor:
Vladimír Kolesár, Matúš Dubecký
Publikováno v:
Journal of Chemical Theory and Computation. 19:1170-1176
Autor:
Roman Fanta, Matúš Dubecký
Publikováno v:
Journal of Chemical Theory and Computation. 17:4242-4249
We present a paradigmatic example of a strong effect of Jastrow cutoff radii setup on the accuracy of noncovalent interaction energy differences within one-determinant Slater-Jastrow fixed-node diffusion Monte Carlo (1FNDMC) simulations using isotrop
Publikováno v:
The Journal of Chemical Physics. 158:054703
Sc2C(OH)2 is a prototypical non-magnetic member of MXenes, a promising transition-metal-based 2D material family, with a direct bandgap. We provide here a benchmark of its fundamental gap Δ obtained from many-body GW and fixed-node diffusion Monte C
Publikováno v:
Chemical Physics. 564:111713
Publikováno v:
Journal of Chemical Theory and Computation. 15:3552-3557
Single-determinant (SD) fixed-node diffusion Monte Carlo (FNDMC) gains popularity as a benchmark method scalable to large noncovalent systems, although its accuracy limits are not yet fully mapped out. We report on an interesting example of significa
Autor:
D. Kindl, Pavel Hubík, František Dubecký, Matúš Dubecký, Bohumír Zaťko, E. Gombia, V. Kolesár
Publikováno v:
Applied surface science 467-468 (2019): 1219–1225. doi:10.1016/j.apsusc.2018.10.164
info:cnr-pdr/source/autori:Dubecky F.; Zatko B.; Kolesar V.; Kindl D.; Hubik P.; Gombia E.; Dubecky M./titolo:Charge collection efficiency of Pt vs. Mg contacts on semi-insulating GaAs/doi:10.1016%2Fj.apsusc.2018.10.164/rivista:Applied surface science/anno:2019/pagina_da:1219/pagina_a:1225/intervallo_pagine:1219–1225/volume:467-468
info:cnr-pdr/source/autori:Dubecky F.; Zatko B.; Kolesar V.; Kindl D.; Hubik P.; Gombia E.; Dubecky M./titolo:Charge collection efficiency of Pt vs. Mg contacts on semi-insulating GaAs/doi:10.1016%2Fj.apsusc.2018.10.164/rivista:Applied surface science/anno:2019/pagina_da:1219/pagina_a:1225/intervallo_pagine:1219–1225/volume:467-468
A comparative study of diode structures based on semi-insulating (SI) GaAs with evaporated Mg vs. Pt contacts is presented. Electric field strength in the vicinity of the contacts is inferred from the detection of α-particles emitted from 241Am radi
Autor:
Matúš Dubecký
Publikováno v:
Journal of Chemical Theory and Computation. 13:3626-3635
Convergence of fixed-node (FN) shape and FN diffusion Monte Carlo (FNDMC) interaction energies is studied vs the Gaussian basis set saturation level in HF and CH4 dimers and one-determinant Slater-Jastrow trial wave functions (ΨT). The tested 25 dis
Autor:
M. Mičušík, Pavol Boháček, František Dubecký, J. Mudroň, D. Kindl, Vladimír Nečas, E. Gombia, Gabriel Vanko, Pavel Hubík, Matúš Dubecký
Publikováno v:
Applied surface science 395 (2017): 131–135. doi:10.1016/j.apsusc.2016.04.176
info:cnr-pdr/source/autori:Dubecky F.; Kindl D.; Hubik P.; Micusik M.; Dubecky M.; Bohacek P.; Vanko G.; Gombia E.; Necas V.; Mudron J./titolo:A comparative study of Mg and Pt contacts on semi-insulating GaAs: Electrical and XPS characterization/doi:10.1016%2Fj.apsusc.2016.04.176/rivista:Applied surface science/anno:2017/pagina_da:131/pagina_a:135/intervallo_pagine:131–135/volume:395
info:cnr-pdr/source/autori:Dubecky F.; Kindl D.; Hubik P.; Micusik M.; Dubecky M.; Bohacek P.; Vanko G.; Gombia E.; Necas V.; Mudron J./titolo:A comparative study of Mg and Pt contacts on semi-insulating GaAs: Electrical and XPS characterization/doi:10.1016%2Fj.apsusc.2016.04.176/rivista:Applied surface science/anno:2017/pagina_da:131/pagina_a:135/intervallo_pagine:131–135/volume:395
We present a comparative study of the symmetric metal-SI GaAs-metal (M-S-M) diodes with full-area contacts on both device sides, in order to demonstrate the effect of contact metal work function in a straightforward way. We compare the conventional h