@article{MTMT:34777533,
	title = {Molecular Dynamics Study of Nanoribbon Formation by Encapsulating Cyclic Hydrocarbon Molecules inside Single-Walled Carbon Nanotube},
	url = {https://m2.mtmt.hu/api/publication/34777533},
	author = {Eskandari, Somayeh and Koltai, János and László, István and Kürti, Jenő},
	doi = {10.3390/nano14070627},
	journal-iso = {NANOMATERIALS-BASEL},
	journal = {NANOMATERIALS},
	volume = {14},
	unique-id = {34777533},
	abstract = {Carbon nanotubes filled with organic molecules can serve as chemical nanoreactors. Recent experimental results show that, by introducing cyclic hydrocarbon molecules inside carbon nanotubes, they can be transformed into nanoribbons or inner tubes, depending on the experimental conditions. In this paper, we present our results obtained as a continuation of our previous molecular dynamics simulation work. In our previous work, the initial geometry consisted of independent carbon atoms. Now, as an initial condition, we have placed different molecules inside a carbon nanotube (18,0): C5H5 (fragment of ferrocene), C5, C5+H2; C6H6 (benzene), C6, C6+H2; C20H12 (perylene); and C24H12 (coronene). The simulations were performed using the REBO-II potential of the LAMMPS software package, supplemented with a Lennard-Jones potential between the nanotube wall atoms and the inner atoms. The simulation proved difficult due to the slow dynamics of the H abstraction. However, with a slight modification of the parameterization, it was possible to model the formation of carbon nanoribbons inside the carbon nanotube.},
	year = {2024},
	eissn = {2079-4991},
	orcid-numbers = {Koltai, János/0000-0003-2576-9740; Kürti, Jenő/0000-0001-9752-2769}
}

@article{MTMT:34715042,
	title = {Surface magnon spectra of nodal loop semimetals},
	url = {https://m2.mtmt.hu/api/publication/34715042},
	author = {Al-Assaf, Assem Mustafa Abd-Alrhman and Koltai, János and Oroszlány, László},
	doi = {10.1103/PhysRevB.109.035161},
	journal-iso = {PHYS REV B},
	journal = {PHYSICAL REVIEW B},
	volume = {109},
	unique-id = {34715042},
	issn = {2469-9950},
	year = {2024},
	eissn = {2469-9969},
	orcid-numbers = {Koltai, János/0000-0003-2576-9740; Oroszlány, László/0000-0001-5682-6424}
}

@misc{MTMT:34719870,
	title = {Signature of pressure-induced topological phase transition in ZrTe5},
	url = {https://m2.mtmt.hu/api/publication/34719870},
	author = {Kovács-Krausz, Zoltán and Nagy, Dániel and Márffy, Albin Máté and Karpiak, Bogdan and Tajkov, Zoltán and Oroszlány, László and Koltai, János and Nemes Incze, Péter and Dash, Saroj P and Makk, Péter and Csonka, Szabolcs and Tóvári, Endre},
	unique-id = {34719870},
	abstract = {The layered van der Waals material ZrTe5 is known as a candidate topological insulator (TI), however its topological phase and the relation with other properties such as an apparent Dirac semimetallic state is still a subject of debate. We employ a semiclassical multicarrier transport (MCT) model to analyze the magnetotransport of ZrTe5 nanodevices at hydrostatic pressures up to 2 GPa. The temperature dependence of the MCT results between 10 and 300 K is assessed in the context of thermal activation, and we obtain the positions of conduction and valence band edges in the vicinity of the chemical potential. We find evidence of the closing and subsequent re-opening of the band gap with increasing pressure, which is consistent with a phase transition from weak to strong TI. This matches expectations from ab initio band structure calculations, as well as previous observations that CVT-grown ZrTe5 is in a weak TI phase in ambient conditions.},
	year = {2023},
	orcid-numbers = {Kovács-Krausz, Zoltán/0000-0001-5821-6195; Oroszlány, László/0000-0001-5682-6424; Koltai, János/0000-0003-2576-9740; Nemes Incze, Péter/0000-0002-1222-3020; Tóvári, Endre/0000-0002-0000-3805}
}

@article{MTMT:34495390,
	title = {Szén nanocsövek belső tere mint kémiai nanoreaktor},
	url = {https://m2.mtmt.hu/api/publication/34495390},
	author = {Somayeh, Eskandari and Koltai, János and László, István and Kürti, Jenő},
	journal-iso = {FIZIKAI SZEMLE},
	journal = {FIZIKAI SZEMLE},
	volume = {73},
	unique-id = {34495390},
	issn = {0015-3257},
	year = {2023},
	pages = {319-323},
	orcid-numbers = {Koltai, János/0000-0003-2576-9740; Kürti, Jenő/0000-0001-9752-2769}
}

@article{MTMT:34014540,
	title = {Formation of nanoribbons by carbon atoms confined in a single-walled carbon nanotube—A molecular dynamics study},
	url = {https://m2.mtmt.hu/api/publication/34014540},
	author = {Eskandari, Somayeh and Koltai, János and László, István and Vaezi, Mehran and Kürti, Jenő},
	doi = {10.1063/5.0151276},
	journal-iso = {J CHEM PHYS},
	journal = {JOURNAL OF CHEMICAL PHYSICS},
	volume = {158},
	unique-id = {34014540},
	issn = {0021-9606},
	abstract = {Carbon nanotubes can serve as one-dimensional nanoreactors for the in-tube synthesis of various nanostructures. Experimental observations have shown that chains, inner tubes, or nanoribbons can grow by the thermal decomposition of organic/organometallic molecules encapsulated in carbon nanotubes. The result of the process depends on the temperature, the diameter of the nanotube, and the type and amount of material introduced inside the tube. Nanoribbons are particularly promising materials for nanoelectronics. Motivated by recent experimental results observing the formation of carbon nanoribbons inside carbon nanotubes, molecular dynamics calculations were performed with the open source LAMMPS code to investigate the reactions between carbon atoms confined within a single-walled carbon nanotube. Our results show that the interatomic potentials behave differently in quasi-one-dimensional simulations of nanotube-confined space than in three-dimensional simulations. In particular, the Tersoff potential performs better than the widely used Reactive Force Field potential in describing the formation of carbon nanoribbons inside nanotubes. We also found a temperature window where the nanoribbons were formed with the fewest defects, i.e., with the largest flatness and the most hexagons, which is in agreement with the experimental temperature range.},
	year = {2023},
	eissn = {1089-7690},
	orcid-numbers = {Koltai, János/0000-0003-2576-9740; Kürti, Jenő/0000-0001-9752-2769}
}

@article{MTMT:33673970,
	title = {Revealing the band structure of ZrTe5 using multicarrier transport},
	url = {https://m2.mtmt.hu/api/publication/33673970},
	author = {Kovács-Krausz, Zoltán and Tóvári, Endre and Nagy, Dániel and Márffy, Albin Máté and Karpiak, Bogdan and Tajkov, Zoltán and Oroszlány, László and Koltai, János and Nemes Incze, Péter and Dash, Saroj P. and Makk, Péter and Csonka, Szabolcs},
	doi = {10.1103/PhysRevB.107.075152},
	journal-iso = {PHYS REV B},
	journal = {PHYSICAL REVIEW B},
	volume = {107},
	unique-id = {33673970},
	issn = {2469-9950},
	year = {2023},
	eissn = {2469-9969},
	orcid-numbers = {Kovács-Krausz, Zoltán/0000-0001-5821-6195; Tóvári, Endre/0000-0002-0000-3805; Karpiak, Bogdan/0000-0001-7462-8405; Oroszlány, László/0000-0001-5682-6424; Koltai, János/0000-0003-2576-9740; Nemes Incze, Péter/0000-0002-1222-3020; Dash, Saroj P./0000-0001-7931-4843}
}

@article{MTMT:33090541,
	title = {Observation of competing, correlated ground states in the flat band of rhombohedral graphite},
	url = {https://m2.mtmt.hu/api/publication/33090541},
	author = {Hagymási, Imre and Mohd, Isa M.S. and Tajkov, Zoltán and Márity, K. and Oroszlány, László and Koltai, János and Al-Assaf, Assem Mustafa Abd-Alrhman and Kun, Péter and Kandrai, Konrád and Pálinkás, András and Vancsó, Péter and Tapasztó, Levente and Nemes Incze, Péter},
	doi = {10.1126/sciadv.abo6879},
	journal-iso = {SCI ADV},
	journal = {SCIENCE ADVANCES},
	volume = {8},
	unique-id = {33090541},
	issn = {2375-2548},
	year = {2022},
	eissn = {2375-2548},
	orcid-numbers = {Oroszlány, László/0000-0001-5682-6424; Koltai, János/0000-0003-2576-9740; Vancsó, Péter/0000-0003-4333-9787; Tapasztó, Levente/0000-0002-9377-8465; Nemes Incze, Péter/0000-0002-1222-3020}
}

@article{MTMT:33068873,
	title = {Revealing the topological phase diagram of ZrTe5 using the complex strain fields of microbubbles},
	url = {https://m2.mtmt.hu/api/publication/33068873},
	author = {Tajkov, Zoltán and Nagy, Dániel and Kandrai, Konrád and Koltai, János and Oroszlány, László and Süle, Péter and Horváth, Zsolt Endre and Vancsó, Péter and Tapasztó, Levente and Nemes Incze, Péter},
	doi = {10.1038/s41524-022-00854-z},
	journal-iso = {NPJ COMPUT MATER},
	journal = {NPJ COMPUTATIONAL MATERIALS},
	volume = {8},
	unique-id = {33068873},
	issn = {2057-3960},
	abstract = {Topological materials host robust properties, unaffected by microscopic perturbations, owing to the global topological properties of the bulk electron system. Materials in which the topological invariant can be changed by easily tuning external parameters are especially sought after. Zirconium pentatelluride (ZrTe5) is one of a few experimentally available materials that reside close to the boundary of a topological phase transition, allowing the switching of its invariant by mechanical strain. Here, we unambiguously identify a topological insulator-metal transition as a function of strain, by a combination of ab initio calculations and direct measurements of the local charge density. Our model quantitatively describes the response to complex strain patterns found in bubbles of few layer ZrTe5 without fitting parameters, reproducing the mechanical deformation-dependent closing of the band gap observed using scanning tunneling microscopy. We calculate the topological phase diagram of ZrTe5 and identify the phase at equilibrium, enabling the design of device architectures, which exploit the topological switching characteristics of the system.},
	year = {2022},
	eissn = {2057-3960},
	orcid-numbers = {Koltai, János/0000-0003-2576-9740; Oroszlány, László/0000-0001-5682-6424; Horváth, Zsolt Endre/0000-0002-4632-0136; Vancsó, Péter/0000-0003-4333-9787; Tapasztó, Levente/0000-0002-9377-8465; Nemes Incze, Péter/0000-0002-1222-3020}
}

@article{MTMT:32854289,
	title = {Activation of Raman modes in monolayer transition metal dichalcogenides through strong interaction with gold},
	url = {https://m2.mtmt.hu/api/publication/32854289},
	author = {Rodriguez, Alvaro and Velický, Matej and Kalbác, Martin and Frank, Otakar and Ráhová, Jaroslava and Zólyomi, Viktor and Koltai, János},
	doi = {10.1103/PhysRevB.105.195413},
	journal-iso = {PHYS REV B},
	journal = {PHYSICAL REVIEW B},
	volume = {105},
	unique-id = {32854289},
	issn = {2469-9950},
	abstract = {Raman spectroscopy has become one of the most utilized methods for the characterization of transition metal dichalcogenides (TMDCs); however, the interpretation of the Raman spectra of TMDC-based heterostructures has been the subject of recent debate. Using a comprehensive combination of micro-Raman and tip-enhanced Raman spectroscopy, accompanied by ab initio simulations of both Raman frequencies and intensities, we show that the activation of the otherwise geometry-forbidden E mode and symmetry-forbidden A1 mode is the fingerprint of the strong interaction between the monolayer MX2 (M is Mo/W, X is S/Se) and the gold substrate, in contrast to the weakly interacting or freestanding MX2.},
	year = {2022},
	eissn = {2469-9969},
	orcid-numbers = {Koltai, János/0000-0003-2576-9740}
}

@misc{MTMT:32522179,
	title = {A Bell–CHSH-egyenlőtlenségek tesztelése},
	url = {https://m2.mtmt.hu/api/publication/32522179},
	author = {Koltai, János and B., Fecske and E., Kósa and Oroszlány, László and Tajkov, Zoltán},
	unique-id = {32522179},
	year = {2021},
	orcid-numbers = {Koltai, János/0000-0003-2576-9740; Oroszlány, László/0000-0001-5682-6424}
}