85 citations · 244 across the 16 of their papers we have counts for
17 papers
Crystalite: A Lightweight Transformer for Efficient Crystal Modeling
Tin Hadži Veljković, Joshua Rosenthal, Ivor Lončarić +1
Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample. We p…
Journal Research Data Policies in Materials Science
Lukas Hörmann, Hemanadhan Myneni, Rwayda Kh. S. Al-Hamd +17
Open and reproducible research in materials science relies on the availability of data, code, and common metadata standards. Journal research data policies (RDPs) remain a primary…
Photoinduced Frustration Modulation in -type Quantum Spin Liquid Candidates
M. Tepie, F. Glerean, J. Ovčar +7
Geometric frustration is a key parameter controlling electronic and magnetic properties of quantum spin liquid systems, yet remains challenging to tune. Here, we coherently drive m…
Machine learning model for efficient nonthermal tuning of the charge density wave in monolayer NbSe
Luka Benić, Federico Grasselli, Chiheb Ben Mahmoud +2
Understanding and controlling the charge density wave (CDW) phase diagram of transition metal dichalcogenides is a long-studied problem in condensed matter physics. However, due to…
Electron-mediated anharmonicity and its role in the Raman spectrum of graphene
Nina Girotto Erhardt, Aloïs Castellano, J. P. Alvarinhas Batista +4
The Raman active G mode in graphene exhibits strong coupling to electrons, yet the comprehensive treatment of this interaction in the calculation of its temperature-dependent Raman…
Increased resistance to photooxidation in Dion-Jacobson lead halide perovskites -- implication for perovskite device stability
Zhilin Ren, Juraj Ovčar, Tik Lun Leung +24
2D metal halide perovskites have enabled significant stability improvements in perovskite devices, particularly in resistance to moisture. However, some 2D perovskites are even mor…
Crystal structure prediction of (quasi-)two-dimensional lead halide perovskites
Juraj Ovčar, Luca Grisanti, Bruno Mladineo +3
Two-dimensional lead halide perovskites are promising materials for optoelectronics due to the tunability of their properties with the number of lead halide layers and the choice o…
O on Ag(110): A puzzle for exchange-correlation functionals
Ivor Lončarić, Maite Alducin, J. Iñaki Juaristi
Despite the great success of density functional theory in describing materials, there are still a few examples where current exchange-correlation functionals fail. We add another e…
Synthesis of Murunskite Single Crystals: A Bridge Between Cuprates and Pnictides
Davor Tolj, Trpimir Ivšić, Ivica Živković +10
Numerous contemporary investigations in condensed matter physics are devoted to high temperature (high- ) cuprate superconductors. Despite its unique effulgence among research…
Proximity-induced magnetization in graphene: Towards efficient spin gating
Mihovil Bosnar, Ivor Lončarić, P. Lazić +2
Gate-tunable spin-dependent properties could be induced in graphene at room temperature through magnetic proximity effect by placing it in contact with a metallic ferromagnet. Beca…
Metal surface induces strong acoustic plasmons in chemically doped graphene
Vito Despoja, Dino Novko, Ivor Loncaric +2
Recent theoretical considerations have demonstrated that freestanding graphene doped with alkali metals (AC x ) supports strong Dirac and weak acoustic plasmons. Here we show that…
The Non-Ideal Organic Electrochemical Transistors Impedance
Sébastien Pecqueur, Ivor Lončaric, Vinko Zlatić +2
Organic electrochemical transistors offer powerful functionalities for biosensors and neuroinspired electronics, with still much to understand on the time dependent behavior of thi…
Strong anisotropic interaction controls unusual sticking and scattering of CO at Ru(0001)
Ivor Lončarić, Gernot Füchsel, J. I. Juaristi +1
Complete sticking at low incidence energies and broad angular scattering distributions at higher energies are often observed in molecular beam experiments on gas-surface systems wh…
Strong two-dimensional plasmon in Li-intercalated hexagonal boron-nitride film with low damping
Ivor Lončarić, Zoran Rukelj, Vyacheslav M. Silkin +1
The field of plasmonics seeks to find materials with an intensive plasmon (large plasmon pole weight) with low Landau, phonon and other losses (small decay width). In this paper we…
Imaging of optically active defects with nanometer resolution
Jiandong Feng, Hendrik Deschout, Sabina Caneva +4
Point defects significantly influence the optical and electrical properties of solid-state materials due to their interactions with charge carriers, which reduce the band-to-band o…
Femtosecond laser driven molecular dynamics on surfaces: Photodesorption of molecular oxygen from Ag(110)
Ivor Lončarić, M. Alducin, P. Saalfrank +1
We simulate the femtosecond laser induced desorption dynamics of a diatomic molecule from a metal surface by including the effect of the electron and phonon excitations created by…
Quasiparticle spectra and excitons of organic molecules deposited on substrates: G0W0-BSE approach applied to benzene on graphene and metallic substrates
V. Despoja, I. Lončarić, D. J. Mowbray +1
We present an alternative methodology for calculating the quasi-particle energy, energy loss, and optical spectra of a molecule deposited on graphene or a metallic substrate. To te…