Andrey S. Vasenko

Bio: Andrey S. Vasenko is an academic researcher from National Research University – Higher School of Economics. The author has contributed to research in topics: Superconductivity & Josephson effect. The author has an hindex of 17, co-authored 62 publications receiving 779 citations. Previous affiliations of Andrey S. Vasenko include MESA+ Institute for Nanotechnology & Donostia International Physics Center.

Halide Composition Controls Electron–Hole Recombination in Cesium–Lead Halide Perovskite Quantum Dots: A Time Domain Ab Initio Study

Abstract: We demonstrate that halide content strongly affects nonradiative electron–hole recombination in all-inorganic perovskite quantum dots (QDs). Using time domain density functional theory and nonadiabatic molecular dynamics, we show that replacing half of the bromines with iodines in a CsPbBr3 QD extends the charge carrier lifetime by a factor of 5, while complete replacement extends the lifetime by a factor of 8. Doping with iodines decreases the nonadiabatic charge–phonon coupling because iodines are heavier and slower than bromines and because the overlap between the electron and hole wave functions is reduced. In general, the nonradiative electron–hole recombination proceeds slowly, on a nanosecond time scale, due to small sub-1 meV nonadiabatic coupling and short sub-10 fs coherence times. The obtained recombination times and their dependence on the halogen content show excellent agreement with experiments. Our study suggests that the power conversion efficiencies of solar cells can be controlled by cha...

Mono-Elemental Properties of 2D Black Phosphorus Ensure Extended Charge Carrier Lifetimes under Oxidation: Time-Domain Ab Initio Analysis.

Abstract: An attractive two-dimensional semiconductor with tunable direct bandgap and high carrier mobility, black phosphorus (BP), is used in batteries, solar cells, photocatalysis, plasmonics, and optoelectronics. BP is sensitive to ambient conditions, with oxygen playing a critical role in structure degradation. Our simulations show that BP oxidation slows down charge recombination. This is unexpected, since typically charges are trapped and lost on defects. First, BP has no ionic character. It interacts with oxygen and water weakly, experiencing little perturbation to electronic structure. Second, phosphorus supports different oxidation states and binds extraneous atoms avoiding deep defect levels. Third, soft BP structure can accommodate foreign species without disrupting periodic geometry. Finally, BP phonon scattering on defects shortens quantum coherence and suppresses recombination. Thus, oxidation can be regarded as production of a self-protective layer that improves BP properties. These BP features should be common to other monoelemental 2D materials, stimulating energy and electronics applications.

Anharmonicity Extends Carrier Lifetimes in Lead Halide Perovskites at Elevated Temperatures.

Abstract: Lead halide perovskites constitute a very promising class of materials for a broad range of solar and optoelectronic applications. Perovskites exhibit many unusual properties, and recent experiments demonstrate an unusual temperature dependence of charge carrier lifetimes. Focusing on the all-inorganic CsPbBr3, and using a combination of ab initio nonadiabatic molecular dynamics and time-domain density functional theory, we demonstrate that the unconventional behavior arises because of a highly anharmonic nature of atomic motions in perovskites. As temperature increases, perovskite structure undergoes a notable deformation, reflected in tilting of octahedral units, and experiences large-scale anharmonic movements away from the equilibrium geometry. As a result, the electronic energy gap increases, and phonon-induced loss of coherence within the electronic subsystem accelerates. These two factors slow down nonradiative electron-hole recombination, which constitutes the main limitation on efficiencies of perovskite solar, optical, and electronic devices. The increase of charge carrier lifetimes with temperature is particularly beneficial in applications, because materials heat up, for instance, from sunlight during solar energy harvesting. The behavior of the all-inorganic halide perovskite investigated here is different from that of hybrid organic-inorganic perovskites, which exhibit additional disorder associated with reorientations of the asymmetric organic cations. The reported simulations generate an in-depth understanding of the unusual properties of inorganic perovskites, relevant for photocatalytic, photovoltaic, electronic, and optical applications.

Properties of tunnel Josephson junctions with a ferromagnetic interlayer

Abstract: We investigate superconductor/insulator/ferromagnet/superconductor tunnel Josephson junctions in the dirty limit using the quasiclassical theory. We formulate a quantitative model describing the oscillations of critical current as a function of thickness of the ferromagnetic layer and use this model to fit recent experimental data. We also calculate quantitatively the density of states DOS in this type of junctions and compare DOS oscillations with those of the critical current

Ab initio nonadiabatic molecular dynamics of charge carriers in metal halide perovskites

Abstract: Photoinduced nonequilibrium processes in nanoscale materials play key roles in photovoltaic and photocatalytic applications. This review summarizes recent theoretical investigations of excited state dynamics in metal halide perovskites (MHPs), carried out using a state-of-the-art methodology combining nonadiabatic molecular dynamics with real-time time-dependent density functional theory. The simulations allow one to study evolution of charge carriers at the ab initio level and in the time-domain, in direct connection with time-resolved spectroscopy experiments. Eliminating the need for the common approximations, such as harmonic phonons, a choice of the reaction coordinate, weak electron–phonon coupling, a particular kinetic mechanism, and perturbative calculation of rate constants, we model full-dimensional quantum dynamics of electrons coupled to semiclassical vibrations. We study realistic aspects of material composition and structure and their influence on various nonequilibrium processes, including nonradiative trapping and relaxation of charge carriers, hot carrier cooling and luminescence, Auger-type charge–charge scattering, multiple excitons generation and recombination, charge and energy transfer between donor and acceptor materials, and charge recombination inside individual materials and across donor/acceptor interfaces. These phenomena are illustrated with representative materials and interfaces. Focus is placed on response to external perturbations, formation of point defects and their passivation, mixed stoichiometries, dopants, grain boundaries, and interfaces of MHPs with charge transport layers, and quantum confinement. In addition to bulk materials, perovskite quantum dots and 2D perovskites with different layer and spacer cation structures, edge passivation, and dielectric screening are discussed. The atomistic insights into excited state dynamics under realistic conditions provide the fundamental understanding needed for design of advanced solar energy and optoelectronic devices.

Phd by thesis

Abstract: Deposits of clastic carbonate-dominated (calciclastic) sedimentary slope systems in the rock record have been identified mostly as linearly-consistent carbonate apron deposits, even though most ancient clastic carbonate slope deposits fit the submarine fan systems better. Calciclastic submarine fans are consequently rarely described and are poorly understood. Subsequently, very little is known especially in mud-dominated calciclastic submarine fan systems. Presented in this study are a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) that reveals a >250 m thick calciturbidite complex deposited in a calciclastic submarine fan setting. Seven facies are recognised from core and thin section characterisation and are grouped into three carbonate turbidite sequences. They include: 1) Calciturbidites, comprising mostly of highto low-density, wavy-laminated bioclast-rich facies; 2) low-density densite mudstones which are characterised by planar laminated and unlaminated muddominated facies; and 3) Calcidebrites which are muddy or hyper-concentrated debrisflow deposits occurring as poorly-sorted, chaotic, mud-supported floatstones. These

Observation of Majorana fermions in ferromagnetic atomic chains on a superconductor

Abstract: A possible sighting of Majorana states Nearly 80 years ago, the Italian physicist Ettore Majorana proposed the existence of an unusual type of particle that is its own antiparticle, the so-called Majorana fermion. The search for a free Majorana fermion has so far been unsuccessful, but bound Majorana-like collective excitations may exist in certain exotic superconductors. Nadj-Perge et al. created such a topological superconductor by depositing iron atoms onto the surface of superconducting lead, forming atomic chains (see the Perspective by Lee). They then used a scanning tunneling microscope to observe enhanced conductance at the ends of these chains at zero energy, where theory predicts Majorana states should appear. Science, this issue p. 602; see also p. 547 Scanning tunneling microscopy is used to observe signatures of Majorana states at the ends of iron atom chains. [Also see Perspective by Lee] Majorana fermions are predicted to localize at the edge of a topological superconductor, a state of matter that can form when a ferromagnetic system is placed in proximity to a conventional superconductor with strong spin-orbit interaction. With the goal of realizing a one-dimensional topological superconductor, we have fabricated ferromagnetic iron (Fe) atomic chains on the surface of superconducting lead (Pb). Using high-resolution spectroscopic imaging techniques, we show that the onset of superconductivity, which gaps the electronic density of states in the bulk of the Fe chains, is accompanied by the appearance of zero-energy end-states. This spatially resolved signature provides strong evidence, corroborated by other observations, for the formation of a topological phase and edge-bound Majorana fermions in our atomic chains.

Superconducting Spintronics

Abstract: Traditional studies that combine spintronics and superconductivity have mainly focused on the injection of spin-polarized quasiparticles into superconducting materials However, a complete synergy between superconducting and magnetic orders turns out to be possible through the creation of spin-triplet Cooper pairs, which are generated at carefully engineered superconductor interfaces with ferromagnetic materials Currently, there is intense activity focused on identifying materials combinations that merge superconductivity and spintronics to enhance device functionality and performance The results look promising: it has been shown, for example, that superconducting order can greatly enhance central effects in spintronics such as spin injection and magnetoresistance Here, we review the experimental and theoretical advances in this field and provide an outlook for upcoming challenges in superconducting spintronics

Unwinding of a skyrmion lattice by magnetic monopoles.

Abstract: Skyrmion crystals are regular arrangements of magnetic whirls that exist in a wide range of chiral magnets. Because of their topology, they cannot be created or destroyed by smooth rearrangements of the direction of the local magnetization. Using magnetic force microscopy, we tracked the destruction of the skyrmion lattice on the surface of a bulk crystal of Fe(1-x)Co(x)Si (x = 0.5). Our study revealed that skyrmions vanish by a coalescence, forming elongated structures. Numerical simulations showed that changes of topology are controlled by singular magnetic point defects. They can be viewed as quantized magnetic monopoles and antimonopoles, which provide sources and sinks of one flux quantum of emergent magnetic flux, respectively.