TY - JOUR AU - Park, K. AU - Nyári, Bendegúz Tamás AU - Lászlóffy, András AU - Szunyogh, László AU - Ujfalussy, Balázs TI - Effects of strong spin-orbit coupling on Shiba states from magnetic adatoms using first-principles theory JF - NEW JOURNAL OF PHYSICS J2 - NEW J PHYS VL - 25 PY - 2023 IS - 3 PG - 19 SN - 1367-2630 DO - 10.1088/1367-2630/acc1ff UR - https://m2.mtmt.hu/api/publication/33728446 ID - 33728446 LA - English DB - MTMT ER - TY - JOUR AU - Nagyfalusi, Balázs AU - Udvardi, László AU - Szunyogh, László TI - Magnetic ground state of supported monatomic Fe chains from first principles JF - JOURNAL OF PHYSICS-CONDENSED MATTER J2 - J PHYS CONDENS MAT VL - 34 PY - 2022 IS - 39 PG - 10 SN - 0953-8984 DO - 10.1088/1361-648X/ac8260 UR - https://m2.mtmt.hu/api/publication/33041619 ID - 33041619 N1 - Export Date: 23 April 2024 CODEN: JCOME AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Selzer, Severin AU - Salemi, Leandro AU - Deák, András AU - Simon, Eszter AU - Szunyogh, László AU - Oppeneer, Peter M. AU - Nowak, Ulrich TI - Current-induced switching of antiferromagnetic order in Mn2Au from first principles JF - PHYSICAL REVIEW B J2 - PHYS REV B VL - 105 PY - 2022 IS - 17 PG - 8 SN - 2469-9950 DO - 10.1103/PhysRevB.105.174416 UR - https://m2.mtmt.hu/api/publication/32923926 ID - 32923926 AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Miele, Ylenia AU - Holló, Gábor AU - Lagzi, István László AU - Rossi, Federico TI - Shape Deformation, Budding and Division of Giant Vesicles and Artificial Cells: A Review JF - LIFE-BASEL J2 - LIFE-BASEL VL - 12 PY - 2022 IS - 6 PG - 20 SN - 2075-1729 DO - 10.3390/life12060841 UR - https://m2.mtmt.hu/api/publication/32865884 ID - 32865884 N1 - Funding Agency and Grant Number: National Research, Development and Innovation Office of Hungary [K131425]; National Research, Development, and Innovation Fund of Hungary [TKP2021-EGA-02] Funding text: This research was funded by the National Research, Development and Innovation Office of Hungary, grant number K131425 and the National Research, Development, and Innovation Fund of Hungary under Grant TKP2021-EGA-02. LA - English DB - MTMT ER - TY - JOUR AU - Farkas, Szabolcs AU - Fonyi, Máté Sándor AU - Holló, Gábor AU - Német, Norbert AU - Valletti, Nadia AU - Kukovecz, Ákos AU - Schuszter, Gábor AU - Rossi, Federico AU - Lagzi, István László TI - Periodic Precipitation of Zeolitic Imidazolate Frameworks in a Gelled Medium JF - JOURNAL OF PHYSICAL CHEMISTRY C J2 - J PHYS CHEM C VL - 126 PY - 2022 IS - 22 SP - 9580 EP - 9586 PG - 7 SN - 1932-7447 DO - 10.1021/acs.jpcc.2c02371 UR - https://m2.mtmt.hu/api/publication/32841795 ID - 32841795 N1 - Funding Agency and Grant Number: National Research, Development and Innovation Office of Hungary [K131425, K138844]; National Research, Development, and Innovation Fund of Hungary [TKP2021-EGA-02] Funding text: This work was supported by the National Research, Development and Innovation Office of Hungary (K131425 and K138844) and the National Research, Development, and Innovation Fund of Hungary under Grant TKP2021-EGA-02. AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Török, Tímea Nóra AU - Fehérvári, János Gergő AU - Mészáros, Gábor AU - Pósa, László AU - Halbritter, András Ernő TI - Tunable, Nucleation-Driven Stochasticity in Nanoscale Silicon Oxide Resistive Switching Memory Devices JF - ACS APPLIED NANO MATERIALS J2 - ACS APPL NANO MATER VL - 5 PY - 2022 IS - 5 SP - 6691 EP - 6698 PG - 8 SN - 2574-0970 DO - 10.1021/acsanm.2c00722 UR - https://m2.mtmt.hu/api/publication/32821968 ID - 32821968 AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Német, Norbert AU - Holló, Gábor AU - Schuszter, Gábor AU - Horváth, Dezső AU - Tóth, Ágota AU - Rossi, Federico AU - Lagzi, István László TI - Application of a chemical clock in material design: chemically programmed synthesis of zeolitic imidazole framework-8 JF - CHEMICAL COMMUNICATIONS J2 - CHEM COMMUN VL - 58 PY - 2022 IS - 38 SP - 5777 EP - 5780 PG - 4 SN - 1359-7345 DO - 10.1039/d2cc01139e UR - https://m2.mtmt.hu/api/publication/32812609 ID - 32812609 N1 - Funding Agency and Grant Number: National Research, Development and Innovation Office of HungaryNational Research, Development & Innovation Office (NRDIO) - Hungary [K131425, K138844]; National Research, Development, and Innovation Fund of Hungary [TKP2021-EGA-02] Funding text: The authors acknowledge the financial support of the National Research, Development and Innovation Office of Hungary (K131425 and K138844) and National Research, Development, and Innovation Fund of Hungary under Grant TKP2021-EGA-02. AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Butykai, Ádám AU - Geirhos, K. AU - Szaller, Dávid AU - Kiss, László Ferenc AU - Balogh, L. AU - Azhar, M. AU - Garst, M. AU - DeBeer-Schmitt, L. AU - Waki, T. AU - Tabata, Y. AU - Nakamura, H. AU - Kézsmárki, I. AU - Bordács, Sándor TI - Squeezing the periodicity of Néel-type magnetic modulations by enhanced Dzyaloshinskii-Moriya interaction of 4d electrons JF - NPJ QUANTUM MATERIALS J2 - NPJ QUANTUM MATER VL - 7 PY - 2022 IS - 1 PG - 7 SN - 2397-4648 DO - 10.1038/s41535-022-00432-y UR - https://m2.mtmt.hu/api/publication/32775065 ID - 32775065 AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Cho, Young Shin AU - Moon, Miyoung AU - Holló, Gábor AU - Lagzi, István László AU - Yang, Sung Ho TI - Bioinspired Control of Calcium Phosphate Liesegang Patterns Using Anionic Polyelectrolytes JF - LANGMUIR J2 - LANGMUIR VL - 38 PY - 2022 IS - 8 SP - 2515 EP - 2524 PG - 10 SN - 0743-7463 DO - 10.1021/acs.langmuir.1c02980 UR - https://m2.mtmt.hu/api/publication/32713141 ID - 32713141 N1 - Department of Chemistry Education, Korea National University of Education (KNUE), Chungbuk28173, South Korea MTA-BME Condensed Matter Physics Research Group, Budapest University of Technology and Economics, Budapest, H-1111, Hungary Department of Physics, Budapest University of Technology and Economics, Budapest, H-1111, Hungary Export Date: 2 May 2022 CODEN: LANGD Correspondence Address: Lagzi, I.; MTA-BME Condensed Matter Physics Research Group, Hungary; email: lagzi.istvan.laszlo@ttk.bme.hu Correspondence Address: Yang, S.H.; Department of Chemistry Education, Chungbuk, South Korea; email: sunghoyang@knue.ac.kr AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Reschke, S. AU - Farkas, Dániel Gergely AU - Strinic, A. AU - Ghara, S. AU - Guratinder, K. AU - Zaharko, O. AU - Prodan, L. AU - Tsurkan, V. AU - Szaller, Dávid AU - Bordács, Sándor AU - Deisenhofer, J. AU - Kézsmárki, I. TI - Confirming the trilinear form of the optical magnetoelectric effect in the polar honeycomb antiferromagnet Co2Mo3O8 JF - NPJ QUANTUM MATERIALS J2 - NPJ QUANTUM MATER VL - 7 PY - 2022 IS - 1 PG - 7 SN - 2397-4648 DO - 10.1038/s41535-021-00417-3 UR - https://m2.mtmt.hu/api/publication/32647202 ID - 32647202 N1 - Funding Agency and Grant Number: Deutsche Forschungsgemeinschaft DFG via the Transregional Collaborative Research CenterGerman Research Foundation (DFG) [TRR 80]; project ANCD (Moldova) [20.80009.5007.19]; National Research, Development, and Innovation Office - NKFIHNational Research, Development & Innovation Office (NRDIO) - Hungary [FK 135003, Bolyai 00318/20/11]; Austrian Science Fund (FWF)Austrian Science Fund (FWF) [I 2816-N27, TAI 334-N]; Austrian Agency for International Cooperation in Education and Research [WTZ HU 08/2020] Funding text: J.D. acknowledges stimulating discussions with Prof. Jorge Stephany. This research was partly funded by Deutsche Forschungsgemeinschaft DFG via the Transregional Collaborative Research Center TRR 80 "From Electronic correlations to the functionality" (Augsburg, Munich, Stuttgart). This work was partly performed at SINQ, Paul Scherrer Institute, Villigen, Switzerland. We acknowledge U. Stuhr for technical support during the Eiger experiment. The support via the project ANCD 20.80009.5007.19 (Moldova) is also acknowledged. This research was supported by the National Research, Development, and Innovation Office - NKFIH, FK 135003, and Bolyai 00318/20/11. D.S. acknowledges the support of the Austrian Science Fund (FWF) [I 2816-N27, TAI 334-N] and that of the Austrian Agency for International Cooperation in Education and Research [WTZ HU 08/2020]. LA - English DB - MTMT ER -