@article{MTMT:33728446, title = {Effects of strong spin-orbit coupling on Shiba states from magnetic adatoms using first-principles theory}, url = {https://m2.mtmt.hu/api/publication/33728446}, author = {Park, K. and Nyári, Bendegúz Tamás and Lászlóffy, András and Szunyogh, László and Ujfalussy, Balázs}, doi = {10.1088/1367-2630/acc1ff}, journal-iso = {NEW J PHYS}, journal = {NEW JOURNAL OF PHYSICS}, volume = {25}, unique-id = {33728446}, issn = {1367-2630}, year = {2023}, eissn = {1367-2630}, orcid-numbers = {Nyári, Bendegúz Tamás/0000-0001-5524-9995} } @article{MTMT:33041619, title = {Magnetic ground state of supported monatomic Fe chains from first principles}, url = {https://m2.mtmt.hu/api/publication/33041619}, author = {Nagyfalusi, Balázs and Udvardi, László and Szunyogh, László}, doi = {10.1088/1361-648X/ac8260}, journal-iso = {J PHYS CONDENS MAT}, journal = {JOURNAL OF PHYSICS-CONDENSED MATTER}, volume = {34}, unique-id = {33041619}, issn = {0953-8984}, abstract = {A new computational scheme is presented based on a combination of the conjugate gradient and the Newton-Raphson method to self-consistently minimize the energy within local spin-density functional theory, thus to identify the ground state magnetic order of a finite cluster of atoms. The applicability of the new ab initio optimization method is demonstrated for Fe chains deposited on different metallic substrates. The optimized magnetic ground states of the Fe chains on Rh(111) are analyzed in details and a good comparison is found with those obtained from an extended Heisenberg model containing first principles based interaction parameters. Moreover, the effect of the different bilinear spin-spin interactions in the formation of the magnetic ground states is monitored. In case of Fe chains on Nb(110) spin-spiral configurations with opposite rotational sense are found as compared to previous spin-model results which hints on the importance of higher order chiral interactions. The wavelength of the spin-spiral states of Fe chains on Re(0001) was obtained in good agreement with scanning tunneling microscopy experiments.}, keywords = {DENSITY; Ab initio; FERROMAGNETISM; SKYRMION LATTICE; Magnetic nanoclusters}, year = {2022}, eissn = {1361-648X} } @article{MTMT:32923926, title = {Current-induced switching of antiferromagnetic order in Mn2Au from first principles}, url = {https://m2.mtmt.hu/api/publication/32923926}, author = {Selzer, Severin and Salemi, Leandro and Deák, András and Simon, Eszter and Szunyogh, László and Oppeneer, Peter M. and Nowak, Ulrich}, doi = {10.1103/PhysRevB.105.174416}, journal-iso = {PHYS REV B}, journal = {PHYSICAL REVIEW B}, volume = {105}, unique-id = {32923926}, issn = {2469-9950}, abstract = {It is well established that it is possible to switch certain antiferromagnets electrically, yet the interplay of Neel-spin-orbit torques and thermal activation is only poorly understood. Combining ab initio calculations and atomistic spin dynamics simulations we develop a multiscale model to study the current-induced switching in Mn2Au. We compute from first principles the strength and direction of the electrically induced magnetic moments, caused by the Rashba-Edelstein effect, and take these into account in atomistic spin dynamics simulations. Our simulations reveal the switching paths as well as the timescales for switching. The size of the induced moments, however, turns out to be insufficient to lead to fully deterministic switching. Instead, we find that a certain degree of thermal activation is required to help overcome the relevant energy barrier.}, keywords = {Materials Science, Multidisciplinary; Physics, Applied}, year = {2022}, eissn = {2469-9969}, orcid-numbers = {Deák, András/0000-0002-3210-2947} } @article{MTMT:32865884, title = {Shape Deformation, Budding and Division of Giant Vesicles and Artificial Cells: A Review}, url = {https://m2.mtmt.hu/api/publication/32865884}, author = {Miele, Ylenia and Holló, Gábor and Lagzi, István László and Rossi, Federico}, doi = {10.3390/life12060841}, journal-iso = {LIFE-BASEL}, journal = {LIFE-BASEL}, volume = {12}, unique-id = {32865884}, year = {2022}, eissn = {2075-1729}, orcid-numbers = {Miele, Ylenia/0000-0001-9330-2152; Holló, Gábor/0000-0001-9920-4801; Lagzi, István László/0000-0002-2303-5965; Rossi, Federico/0000-0002-1854-532X} } @article{MTMT:32841795, title = {Periodic Precipitation of Zeolitic Imidazolate Frameworks in a Gelled Medium}, url = {https://m2.mtmt.hu/api/publication/32841795}, author = {Farkas, Szabolcs and Fonyi, Máté Sándor and Holló, Gábor and Német, Norbert and Valletti, Nadia and Kukovecz, Ákos and Schuszter, Gábor and Rossi, Federico and Lagzi, István László}, doi = {10.1021/acs.jpcc.2c02371}, journal-iso = {J PHYS CHEM C}, journal = {JOURNAL OF PHYSICAL CHEMISTRY C}, volume = {126}, unique-id = {32841795}, issn = {1932-7447}, abstract = {Formation of spatially periodic patterns is a ubiquitous process in nature and man-made systems. Periodic precipitation is the oldest type of pattern formation, in which the formed colloid particles are self-assembled into a sequence of spatially separated precipitation zones in solid hydrogels. Chemical systems exhibiting periodic precipitation mostly comprise oppositely charged inorganic ions. Here, we present a new sub-group of this phenomenon driven by the diffusion and reaction of several transition metal cations (Zn2+, Co2+, Cd2+, Cu2+, Fe2+, Mn2+, and Ni2+) with an organic linker (2-methylimidazole) producing periodic precipitation of zeolitic imidazolate frameworks. In some cases, the formed crystals reached the size of ∼50 μm showing that a gel matrix can provide optimal conditions for nucleation and crystal growth. We investigated the effect of the gel concentration and solvent composition on the morphology of the pattern. To support the experimental observations, we developed a reaction–diffusion model, which qualitatively describes the spatially periodic pattern formation.}, year = {2022}, eissn = {1932-7455}, pages = {9580-9586}, orcid-numbers = {Holló, Gábor/0000-0001-9920-4801; Kukovecz, Ákos/0000-0003-0716-9557; Schuszter, Gábor/0000-0002-9170-9933; Rossi, Federico/0000-0002-1854-532X; Lagzi, István László/0000-0002-2303-5965} } @article{MTMT:32821968, title = {Tunable, Nucleation-Driven Stochasticity in Nanoscale Silicon Oxide Resistive Switching Memory Devices}, url = {https://m2.mtmt.hu/api/publication/32821968}, author = {Török, Tímea Nóra and Fehérvári, János Gergő and Mészáros, Gábor and Pósa, László and Halbritter, András Ernő}, doi = {10.1021/acsanm.2c00722}, journal-iso = {ACS APPL NANO MATER}, journal = {ACS APPLIED NANO MATERIALS}, volume = {5}, unique-id = {32821968}, abstract = {Resistive switching memory devices hold extensive possibilities for realizing artificial neural networks along with nonconventional computing paradigms. Studying and understanding phenomena arising at single resistive switching elements is necessary for utilizing their particular traits for computation. Tuning the variability of the set time the timespan before the onset of the transition from a high-resistance OFF state to a low-resistance ON state is key for making use of the inherently stochastic nature of the resistance switching effect. Here, we study the set time statistics in nanometer-sized graphene-SiOx-graphene resistive switching memory devices. For dedicated OFF state configurations, we demonstrate a universal variance of the logarithmic set time values, which is characteristic to a nucleation-driven crystallization process. Furthermore, we observe clear correlation between the OFF state resistance and the set time, and hence we explore the tunability of the set time statistics via changing the reset amplitude parameter in sequential pulsed measurements. The latter phenomenon could prove useful for controlling stochasticity in memristor-based probabilistic computing applications via the control of the active volume's nanostructure. © 2022 The Authors. Published by American Chemical Society.}, keywords = {NUCLEATION; Phase change memory; Silicon oxide; memristor; Resistive switching memory; graphene nanogap}, year = {2022}, eissn = {2574-0970}, pages = {6691-6698}, orcid-numbers = {Halbritter, András Ernő/0000-0003-4837-9745} } @article{MTMT:32812609, title = {Application of a chemical clock in material design: chemically programmed synthesis of zeolitic imidazole framework-8}, url = {https://m2.mtmt.hu/api/publication/32812609}, author = {Német, Norbert and Holló, Gábor and Schuszter, Gábor and Horváth, Dezső and Tóth, Ágota and Rossi, Federico and Lagzi, István László}, doi = {10.1039/d2cc01139e}, journal-iso = {CHEM COMMUN}, journal = {CHEMICAL COMMUNICATIONS}, volume = {58}, unique-id = {32812609}, issn = {1359-7345}, abstract = {Here we show a time-programmed and autonomous synthesis of zeolitic imidazole framework-8 (ZIF-8) using a methylene glycol-sulfite clock reaction. The induction period of the driving clock reaction, thus, the appearance of the ZIF-8 can be adjusted by the initial concentration of one reagent of the chemical clock. The autonomously synthesized ZIF-8 showed excellent morphology and crystallinity.}, keywords = {OSCILLATIONS; formaldehyde; Gelation; TIME-DOMAIN; METAL-ORGANIC FRAMEWORKS; MOF; WATER-BASED SYNTHESIS}, year = {2022}, eissn = {1364-548X}, pages = {5777-5780}, orcid-numbers = {Holló, Gábor/0000-0001-9920-4801; Schuszter, Gábor/0000-0002-9170-9933; Horváth, Dezső/0000-0003-3852-6879; Tóth, Ágota/0000-0001-8254-6354; Rossi, Federico/0000-0002-1854-532X} } @article{MTMT:32775065, title = {Squeezing the periodicity of Néel-type magnetic modulations by enhanced Dzyaloshinskii-Moriya interaction of 4d electrons}, url = {https://m2.mtmt.hu/api/publication/32775065}, author = {Butykai, Ádám and Geirhos, K. and Szaller, Dávid and Kiss, László Ferenc and Balogh, L. and Azhar, M. and Garst, M. and DeBeer-Schmitt, L. and Waki, T. and Tabata, Y. and Nakamura, H. and Kézsmárki, I. and Bordács, Sándor}, doi = {10.1038/s41535-022-00432-y}, journal-iso = {NPJ QUANTUM MATER}, journal = {NPJ QUANTUM MATERIALS}, volume = {7}, unique-id = {32775065}, abstract = {In polar magnets, such as GaV4S8, GaV4Se8 and VOSe2O5, modulated magnetic phases namely the cycloidal and the Néel-type skyrmion lattice states were identified over extended temperature ranges, even down to zero Kelvin. Our combined small-angle neutron scattering and magnetization study shows the robustness of the Néel-type magnetic modulations also against magnetic fields up to 2 T in the polar GaMo4S8. In addition to the large upper critical field, enhanced spin-orbit coupling stabilize cycloidal, Néel skyrmion lattice phases with sub-10 nm periodicity and a peculiar distribution of the magnetic modulation vectors. Moreover, we detected an additional single-q state not observed in any other polar magnets. Thus, our work demonstrates that non-centrosymmetric magnets with 4d and 5d electron systems may give rise to various highly compressed modulated states.}, year = {2022}, eissn = {2397-4648}, orcid-numbers = {Szaller, Dávid/0000-0003-4451-118X; Bordács, Sándor/0000-0003-0420-5997} } @article{MTMT:32713141, title = {Bioinspired Control of Calcium Phosphate Liesegang Patterns Using Anionic Polyelectrolytes}, url = {https://m2.mtmt.hu/api/publication/32713141}, author = {Cho, Young Shin and Moon, Miyoung and Holló, Gábor and Lagzi, István László and Yang, Sung Ho}, doi = {10.1021/acs.langmuir.1c02980}, journal-iso = {LANGMUIR}, journal = {LANGMUIR}, volume = {38}, unique-id = {32713141}, issn = {0743-7463}, abstract = {The Liesegang phenomenon is a spontaneous pattern formation, which is a periodic distribution of the precipitate discovered in diffusion-limited systems. Over the past century, it has been experimentally attempted to control the periodicity of patterns and structures of precipitates by varying the concentration of the hydrogel or electrolytes, adding organic or inorganic impurities, and applying an electric or pH field. In this work, the periodic patterns of calcium phosphate were manipulated with an anionic macromolecular additive inspired by bone mineralization in which various noncollagenous proteins are involved in the formation of a polymer-induced liquid precursor. The periodic patterns were systematically controlled by adjusting the amount of poly(acrylic acid), and they were numerically simulated by adjusting the threshold concentration of nucleation. The change of the pattern is explained by improved stability and directional diffusion of the intermediate.}, year = {2022}, eissn = {1520-5827}, pages = {2515-2524}, orcid-numbers = {Holló, Gábor/0000-0001-9920-4801; Lagzi, István László/0000-0002-2303-5965; Yang, Sung Ho/0000-0002-2744-8396} } @article{MTMT:32647202, title = {Confirming the trilinear form of the optical magnetoelectric effect in the polar honeycomb antiferromagnet Co2Mo3O8}, url = {https://m2.mtmt.hu/api/publication/32647202}, author = {Reschke, S. and Farkas, Dániel Gergely and Strinic, A. and Ghara, S. and Guratinder, K. and Zaharko, O. and Prodan, L. and Tsurkan, V. and Szaller, Dávid and Bordács, Sándor and Deisenhofer, J. and Kézsmárki, I.}, doi = {10.1038/s41535-021-00417-3}, journal-iso = {NPJ QUANTUM MATER}, journal = {NPJ QUANTUM MATERIALS}, volume = {7}, unique-id = {32647202}, year = {2022}, eissn = {2397-4648}, orcid-numbers = {Szaller, Dávid/0000-0003-4451-118X; Bordács, Sándor/0000-0003-0420-5997} }