240 citations · 1k across the 20 of their papers we have counts for
20 papers
Advanced modeling of materials with PAOFLOW 2.0: New features and software design
Frank T. Cerasoli, Andrew R. Supka, Anooja Jayaraj +7
Recent research in materials science opens exciting perspectives to design novel quantum materials and devices, but it calls for quantitative predictions of properties which are no…
Quantum computation of silicon electronic band structure
Frank T. Cerasoli, Kyle Sherbert, Jagoda Sławińska +1
Development of quantum architectures during the last decade has inspired hybrid classical-quantum algorithms in physics and quantum chemistry that promise simulations of fermionic…
Spin Hall effect in prototype Rashba ferroelectrics GeTe and SnTe
H. Wang, P. Gopal, S. Picozzi +3
Ferroelectric Rashba semiconductors (FERSC) have recently emerged as a promising class of spintronics materials. The peculiar coupling between spin and polar degrees of freedom res…
Absorption and emission modulation in MoS2-GaN (0001) heterostructure by interface phonon-exciton coupling
Yuba Poudel, Jagoda Slawinska, Priya Gopal +6
Semiconductor heterostructures based on layered two-dimensional transition metal dichalcogenides (TMD) interfaced to gallium nitride (GaN) are excellent material systems to realize…
Persistent spin helix in Rashba-Dresselhaus ferroelectric CsBiNb2O7
Carmine Autieri, Paolo Barone, Jagoda Slawinska +1
Ferroelectric Rashba semiconductors (FERSC) are a novel class of multifunctional materials showing a giant Rashba spin splitting which can be reversed by switching the electric pol…
Giant spin Hall Effect in two-dimensional monochalcogenides
Jagoda Slawinska, Frank T. Cerasoli, Haihang Wang +5
One of the most exciting properties of two dimensional materials is their sensitivity to external tuning of the electronic properties, for example via electric field or strain. Rec…
Spin-orbit proximity effect in graphene on metallic substrates: decoration vs intercalation with metal adatoms
Jagoda Slawinska, Jorge I. Cerdá
The so-called spin-orbit proximity effect experimentally realized in graphene (G) on several different heavy metal surfaces opens a new perspective to engineer the spin-orbit coupl…
Fe/GeTe(111) heterostructures as an avenue towards 'ferroelectric Rashba semiconductors'-based spintronics
Jagoda Slawinska, Domenico Di Sante, Sara Varotto +3
By performing density functional theory (DFT) and Green's functions calculations, complemented by X-ray Photoemission Spectroscopy, we investigate the electronic structure of Fe/Ge…
Complex spin texture of Dirac cones induced via spin-orbit proximity effect in graphene on metals
Jagoda Slawinska, Jorge I. Cerda
We use large-scale DFT calculations to investigate with unprecedented detail the so-called spin-orbit (SO) proximity effect in graphene adsorbed on the Pt(111) and Ni(111)/Au semi-…
Ferroelectric control of the spin texture in germanium telluride
C. Rinaldi, S. Varotto, M. Asa +9
The electrical manipulation of spins in semiconductors, without magnetic fields or auxiliary ferromagnetic materials, represents the holy grail for spintronics. The use of Rashba e…
Unveiling the Penta-Silicene nature of perfectly aligned single and double strand Si-nanoribbons on Ag(110)
Jorge I. Cerdá, Jagoda Sławińska, Guy Le Lay +3
We reveal through extensive DFT calculations, confronted to key experimental facts, the hidden penta-silicene nature of single and double strand chiral Si nanoribbons perfectly ali…
Spontaneous polarization induced doping in quasi-free standing epitaxial graphene on silicon carbide from density functional theory
J. Slawinska, H. Aramberri, J. I. Cerdà
By means of density functional theory (DFT) calculations we have quantitatively estimated the impact of the spontaneous polarization (SP) of the SiC(0001) substrate on the electron…
Ab initio study of the relationship between spontaneous polarization and p-type doping in quasi-freestanding graphene on H-passivated SiC surfaces
J. Slawinska, H. Aramberri, M. C. Muñoz +1
Quasi-free standing graphene (QFG) obtained by the intercalation of a hydrogen layer between a SiC surface and the graphene is recognized as an excellent candidate for the developm…
QED2+1 in graphene: symmetries of Dirac equation in 2+1 dimensions
P. Kosinski, P. Maslanka, J. Slawinska +1
It is well-known that the tight-binding Hamiltonian of graphene describes the low-energy excitations that appear to be massless chiral Dirac fermions. Thus, in the continuum limit…
Domains of doping in graphene on polycrystalline gold: first-principles and scanning tunneling spectroscopy studies
J. Slawinska, I. Wlasny, P. Dabrowski +2
We have studied the graphene/gold interface by means of density functional theory (DFT) and scanning tunneling spectroscopy (STS). Weak interaction between graphene and the underly…
Fingerprints of Dirac points in first-principles scanning tunneling spectra of graphene on a metal substrate
J. Slawinska, I. Zasada
Graphene physisorbed on a metal has its characteristic Dirac cones preserved in the band-structure, but the Fermi level of the system is shifted due to the interaction with the sub…
Doping of graphene by a Au(111) substrate: Calculation strategy within the local density approximation and a semiempirical van der Waals approach
J. Slawinska, P. Dabrowski, I. Zasada
We have performed a density functional study of graphene adsorbed on Au(111) surface using both a local density approximation and a semiempirical van der Waals approach proposed by…
Comment on "Tunable Band Gaps in Bilayer Graphene-BN Heterostructures"
J. Slawinska, I. Zasada, P. Kosinski +1
We study the electronic properties of h-BN/graphene/h-BN ABC-stacked trilayer systems using tight binding and DFT methods. We comment on the recent work of Ramasubramaniam et al. (…
Reversible modifications of linear dispersion - graphene between boron nitride monolayers
J. Slawinska, I. Zasada, P. Kosinski +1
Electronic properties of the graphene layer sandwiched between two hexagonal boron nitride sheets have been studied using the first-principles calculations and the minimal tight-bi…
Energy gap tuning in graphene on hexagonal boron nitride bilayer system
J. Slawinska, I. Zasada, Z. Klusek
We use a tight binding approach and density functional theory calculations to study the band structure of graphene/hexagonal boron nitride bilayer system in the most stable configu…