References of "Zanolli, Zeila"
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See detailSpin States Protected from Intrinsic Electron–Phonon Coupling Reaching 100 ns Lifetime at Room Temperature in MoSe2
Ersfeld, Manfred; Volmer, Frank; de Melo, Pedro Miguel M. C. et al

in Nano Letters (2019), 19(6), 4083-4090

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See detailHybrid quantum anomalous Hall effect at graphene-oxide interfaces
Zanolli, Zeila ULiege; Niu, C.; Bihlmayer, G. et al

in Physical Review B (2018), 98(15),

Interfaces are ubiquitous in materials science, and in devices in particular. As device dimensions are constantly shrinking, understanding the physical properties emerging at interfaces is crucial to ... [more ▼]

Interfaces are ubiquitous in materials science, and in devices in particular. As device dimensions are constantly shrinking, understanding the physical properties emerging at interfaces is crucial to exploit them for applications, here for spintronics. Using first-principles techniques and Monte Carlo simulations, we investigate the mutual magnetic interaction at the interface between graphene and an antiferromagnetic semiconductor BaMnO3. We find that graphene deeply affects the magnetic state of the substrate, down to several layers below the interface, by inducing an overall magnetic softening, and switching the in-plane magnetic ordering from antiferromagnetic to ferromagnetic. The graphene-BaMnO3 system presents a Rashba gap 300 times larger than in pristine graphene, leading to a flavor of quantum anomalous Hall effect (QAHE), a hybrid QAHE, characterized by the coexistence of metallic and topological insulating states. These findings could be exploited to fabricate devices that use graphene to control the magnetic configuration of a substrate. [less ▲]

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See detailZhao et al. Reply
Zhao, J. Z.; Fan, W.; Verstraete, Matthieu ULiege et al

in Physical Review Letters (2017), 118(23), 239602

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See detailQuantitative Agreement between Electron-Optical Phase Images of $WSe_2$ and Simulations Based on Electrostatic Potentials that Include Bonding Effects
Borghardt, S.; Winkler, F.; Zanolli, Zeila ULiege et al

in Physical Review Letters (2017), 118

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See detailGraphene-multiferroic interfaces for spintronics applications
Zanolli, Zeila ULiege

in Scientific Reports (2016)

Graphene and magnetoelectric multiferroics are promising materials for spintronic devices with high performance and low energy consumption. A very long spin di usion length and high carrier mobility make ... [more ▼]

Graphene and magnetoelectric multiferroics are promising materials for spintronic devices with high performance and low energy consumption. A very long spin di usion length and high carrier mobility make graphene attractive for spintronics. The coupling between ferroelectricity and magnetism, which characterises magnetoelectrics, opens the way towards unique device architectures. In this work, we combine the features of both materials by investigating the interface between graphene and BaMnO3, a magnetoelectric multiferroic. We show that electron charge is transferred across the interface and magnetization is induced in the graphene sheet due to the strong interaction between C and Mn. Depending on the relative orientation of graphene and BaMnO3, a quasi-half-metal or a magnetic semiconductor can be obtained. A remarkably large proximity induced spin splitting of the Dirac cones (~300 meV) is achieved. We also show how doping with acceptors can make the high-mobility region of the electronic bands experimentally accessible. This suggests a series of possible applications in spintronics (e.g. spin filters, spin injectors) for hybrid organic-multiferroic materials and reveals hybrid organic-multiferroics as a new class of materials that may exhibit exotic phenomena such as the quantum anomalous Hall effect and a Rashba spin-orbit induced topological gap. [less ▲]

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See detailQuasi-One-Dimensional Metal-Insulator Transitions in Compound Semiconductor Surfaces
Zhao, J. Z.; Fan, W.; Verstraete, Matthieu ULiege et al

in Physical Review Letters (2016), 117

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See detailPolytype Attainability in III-V Semiconductor Nanowires
Johansson, J.; Zanolli, Zeila ULiege; Dick, K. A.

in Crystal Growth and Design (2016), 16(1), 371-379

We propose a model that explains the phenomenon of polytypism in metal particle-seeded III-V semiconductor nanowires. The model is based on classical nucleation theory, utilizing the axial next-nearest ... [more ▼]

We propose a model that explains the phenomenon of polytypism in metal particle-seeded III-V semiconductor nanowires. The model is based on classical nucleation theory, utilizing the axial next-nearest-neighbor Ising (ANNNI) model to account for interlayer interaction up to the third nearest-neighboring layer. We investigate the limits of polytypism by varying the ANNNI interaction parameters. These calculations lead to attainability diagrams, which show the regions in interaction energy space where certain polytypes can be attained given that the supersaturation is precisely tuned. We calculate the values of the ANNNI interaction parameters for six common III-V materials from first principles by means of the projector-augmented wave method. We discuss our calculated values in view of previous results. Using these calculated values in our nucleation model, our analysis suggests that besides the commonly observed 3C (zinc blende) and 2H (wurtzite) polytypes the higher order polytypes 4H and 6H can also be attained, in agreement with experimental observations. © 2015 American Chemical Society. [less ▲]

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See detailSize- and shape-dependent phase diagram of In–Sb nano-alloys
Ghasemi, Masoomeh; Zanolli, Zeila ULiege; Stankovski, Martin et al

in Nanoscale (2015), 7

Nano-scale alloy systems with at least one dimension below 100 nm have different phase stabilities than those observed in the macro-scale systems due to a large surface to volume ratio. We have used the ... [more ▼]

Nano-scale alloy systems with at least one dimension below 100 nm have different phase stabilities than those observed in the macro-scale systems due to a large surface to volume ratio. We have used the semi-empirical thermodynamic modelling, i.e. the CALPHAD method, to predict the phase equilibria of the In–Sb nano-scale systems as a function of size and shape. To calculate the size- and shape-depen- dent phase diagram of the In–Sb system, we have added size-dependent surface energy terms to the Gibbs energy expressions in the In–Sb thermodynamic database. We estimated the surface energies of the solution phases and of the InSb intermetallic phase using the Butler equation and DFT calculations, respectively. A melting point and eutectic point depression were observed for both nanoparticle and nanowire systems. The eutectic composition on the In-rich and Sb-rich sides of the phase diagram shifted towards higher solubility. We believe that the phase diagram of In–Sb nano-alloys is useful for an increased understanding of the growth parameters and mechanisms of InSb nanostructures. [less ▲]

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See detailBiFeO3/LaFeO3 : a magnetoelectric multiferroic
Zanolli, Zeila ULiege; Wojdel, J.; Iniguez, J. et al

Conference (2014, April 04)

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See detailPhase diagram of BiFeO3/LaFeO3 superlattices studied by x-ray diffraction experiments and first-principles calculations
Rispens, Gijsbert; Ziegler, Benedikt; Zanolli, Zeila ULiege et al

in Physical Review. B, Condensed Matter and Materials Physics (2014), 90

Combining structural and functional measurements, we have mapped the phase diagram of BiFeO3/LaFeO3 superlattices grown by off-axis sputtering on (110)o DyScO3 substrates. The phase diagram displays three ... [more ▼]

Combining structural and functional measurements, we have mapped the phase diagram of BiFeO3/LaFeO3 superlattices grown by off-axis sputtering on (110)o DyScO3 substrates. The phase diagram displays three distinct regions as a function of BiFeO3 fraction, with a BiFeO3-like ferroelectric phase and a LaFeO3-like paraelectric phase at its extremities, and a complex intermediate region, as supported by first-principles calculations. This intermediate region shows unusual, mixed functional behavior, most likely due to competing phases driven by substitution with a same-size central ion and the specific boundary conditions imposed by the superlattice structure. In the BiFeO3 rich superlattices, scaling of the ferroelectric-to-paraelectric transition temperature with the BiFeO3 thickness could provide an alternate route for studying ferroelectric size effects in BiFeO3. [less ▲]

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See detailDensity Functional Perturbation Theory
Verstraete, Matthieu ULiege; Zanolli, Zeila ULiege

in Blügel, S.; Helbig, N.; Meden, V. (Eds.) et al Computing Solids: Models, Ab-initio Methods and Supercomputing, Lecture Notes of the 45th Spring School 2014 (2014)

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See detailElectric control of the Magnetization in BiFeO3/LaFeO3 superlattices
Zanolli, Zeila ULiege; Wojdel, C.; Iniguez, J. et al

Conference (2013, October 04)

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See detailElectric control of the magnetization in ABO3/A'BO3 superlattices
Zanolli, Zeila ULiege; Wojdel, J.; Iniguez, J. et al

Poster (2013, June 14)

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See detailElectric control of the magnetization in BiFeO3/LaFeO3 superlattices
Zanolli, Zeila ULiege; Wojdeł, Jacek; Iniguez, Jorge et al

in Physical Review. B, Condensed Matter and Materials Physics (2013), 88

First-principles techniques are used to investigate the behavior of BiFeO3/LaFeO3 perovskite oxide superlattices epitaxially grown on a (001)-SrTiO3 substrate. The calculations show that 1/1 superlattices ... [more ▼]

First-principles techniques are used to investigate the behavior of BiFeO3/LaFeO3 perovskite oxide superlattices epitaxially grown on a (001)-SrTiO3 substrate. The calculations show that 1/1 superlattices exhibit a Pmc21 ground state combining a trilinear coupling of one polar and two oxygen rotational lattice modes, and weak ferromagnetism. The microscopic mechanism allowing one to manipulate the magnetization with an electric field in such systems is presented and its dependence on strain and chemical substitution is discussed. BiFeO3/LaFeO3 artificial superlattices appear to be good candidates to achieve electric switching of magnetization at room temperature. [less ▲]

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See detailElectric controle of the Magnetization in BiFeO3/LaFeO3 Superlattices
Zanolli, Zeila ULiege; Wojdel, J.; Iniguez, J. et al

Conference (2012, June 20)

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See detailNanosession: Multiferroic Thin Films and Heterostructures
Burton, J. D.; Yin, J; Li, X. G. et al

in Heber, J; Schlom, D; Tokura, Y (Eds.) et al Frontiers in Electronic Materials (2012)

This chapter presents the theoretical and experimental evidence of a novel magnetoelectric mechanism producing a giant resistive switching effect at the interface between a ferroelectric perovskite oxide ... [more ▼]

This chapter presents the theoretical and experimental evidence of a novel magnetoelectric mechanism producing a giant resistive switching effect at the interface between a ferroelectric perovskite oxide, BaTiO3 (BTO), and a complex oxide manganite electrode, La1-xSrxMnO3. It presents a detailed study of the magnetic properties of multiferroic hybrid systems consisting of BTO as the ferroelectric and Ni or Fe3O4 as the ferromagnetic layers. The chapter discusses the possibility of achieving electric control of the magnetization, possibly at room temperature, through a specific (trilinear) coupling of the polarization with two other non-polar lattice instabilities which occurs in the so-called hybrid improper ferroelectrics. First-principles modelling techniques are used to investigate a promising system: BiFeO3/LaFeO3 superlattice. It presents the investigation of the multiferroic properties in TbMnO3 thin films with soft X-ray resonant magnetic scattering (XRMS) performed at the UE46-PGM1 beamline of BESSY II. [less ▲]

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See detailElectric control of the Magnetization in BiFeO3/LaFeO3 superlattices
Zanolli, Zeila ULiege; Wojdel, J.C.; Iniguez, J. et al

Poster (2012, May)

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See detailSingle-Molecule Sensing Using Carbon Nanotubes Decorated with Magnetic Clusters
Zanolli, Zeila ULiege; Charlier, Jean-Christophe

in ACS Nano (2012), 6(12), 1078610791

First-principles and nonequilibrium Green's function techniques are used to investigate magnetism and spin-polarized quantum transport in metallic carbon nanotubes (CNT) decorated with transition metal ... [more ▼]

First-principles and nonequilibrium Green's function techniques are used to investigate magnetism and spin-polarized quantum transport in metallic carbon nanotubes (CNT) decorated with transition metal (Ni_13, Pt_13) magnetic nanoclusters (NC). For small cluster sizes, the strong CNT-NC interaction induces spin-polarization in the CNT. The adsorption of a benzene molecule is found to drastically modify the CNT-NC magnetization. Such a magnetization change should be large enough to be detected via magnetic-AFM or SQUID magnetometry, hence suggesting a novel approach for single-molecule gas detection. [less ▲]

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See detailElectric control of the Magnetization in BiFeO3/LaFeO3 superlattices
Zanolli, Zeila ULiege; Wojdel, J.-C.; Iniguez, J. et al

Conference (2011, November 30)

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See detailAll-atom effective models for first-principles simulations of the temperature-dependent behavior of complex ferroelectric oxides
Iniguez, J.; Wojdel, C.; Hermet, P. et al

Conference (2011, March 25)

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