195 citations · 612 across the 36 of their papers we have counts for
36 papers
Optical Response Beyond Magnetic Symmetries
Javier Sivianes, Enrique Boquete-Someso, Daniel Hernangómez-Pérez +1
The optical response of magnetic materials is conventionally classified through magnetic space groups (MSGs), where spin and lattice are locked by the relativistic spin-orbit inter…
Many-Body effects beyond excitons in second-harmonic generation of monolayer MoS
Peio Garcia-Goiricelaya, Julen Ibañez-Azpiroz
We present a quantitative study of many-body effects including the three-particle level on second-harmonic generation in monolayer MoS. Our approach combines many-body perturba…
Charge and spin photogalvanic effects in the p-wave magnet NiI2
Giuseppe Cuono, Srdjan Stavric, Javier Sivianes Castano +4
NiI2 is an exotic van der Waals material in which a noncollinear spin spiral breaks spatial inversion symmetry without sizeable structural distortion, generating improper ferroelec…
Linear response of the Chern insulator MnBiTe: A Wannier function approach
Matthew Albert, Javier Sivianes, Jason G. Kattan +2
Recent work demonstrated that in the long wavelength limit the linear response of a Chern insulator to finite-frequency electric fields is the sum of two terms: A general frequency…
Giant non-reciprocal band structure effect in a multiferroic material
Srdjan Stavrić, Giuseppe Cuono, Baishun Yang +5
Multiferroic materials, characterized by the coexistence of ferroelectricity and ferromagnetism, may unveil band structures suggestive of complex phenomena and new functionalities.…
Optical signatures of spin symmetries in unconventional magnets
Javier Sivianes, Flaviano José dos Santos, Julen Ibañez-Azpiroz
The concept of spin symmetries has gained renewed interest as a valuable tool for classifying unconventional magnetic phases, including altermagnets and recently identified p-wave…
Computing Floquet quasienergies in finite and extended systems: Role of electromagnetic and quantum-geometric gauges
Álvaro R. Puente-Uriona, Michele Modugno, Ivo Souza +1
We present an approach to compute the Floquet quasienergy spectrum of time-periodic systems. The method allows to characterize the light-matter interaction in finite and extended s…
Understanding the large shift photocurrent of WS nanotubes: A comparative analysis with monolayers
Jyoti Krishna, Peio Garcia-Goiricelaya, Fernando de Juan +1
We study the similarities and differences in the shift photocurrent contribution to the bulk photovoltaic effect between transition-metal dichalcogenide monolayers and nanotubes. O…
Shift photoconductivity in the Haldane model
Javier Sivianes, Julen Ibañez-Azpiroz
The shift current is part of the second-order optical response of materials with a close connection to topology. Here we report a sign inversion in the band-edge shift photoconduct…
Ab initio study of the structural, vibrational and optical properties of potential parent structures of nitrogen-doped lutetium hydride
Đorđe Dangić, Peio Garcia-Goiricelaya, Yue-Wen Fang +2
The recent report of near-ambient conditions superconductivity in a nitrogen-doped lutetium hydride has inspired a large number of experimental studies with contradictory results.…
Ab initio study of the nonlinear optical properties and d.c. photocurrent of the Weyl semimetal TaIrTe
Álvaro R. Puente-Uriona, Stepan S. Tsirkin, Ivo Souza +1
We present a first principles theoretical study employing nonlinear response theory to investigate the d.c. photocurrent generated by linearly polarized light in the type-II Weyl s…
Including many-body effects into the Wannier-interpolated quadratic photoresponse tensor
Peio Garcia-Goiricelaya, Jyoti Krishna, Julen Ibañez-Azpiroz
We present a first-principles scheme for incorporating many-body interactions into the unified description of the quadratic optical response to light of noncentrosymmetric crystals…
Microscopic theory of spin-relaxation of a single Fe adatom coupled to substrate vibrations
Haritz Garai-Marin, Manuel dos Santos Dias, Samir Lounis +2
Understanding the spin-relaxation mechanism of single adatoms is an essential step towards creating atomic magnetic memory bits or even qubits. Here we present an essentially param…
Electron-phonon coupling of Fe-adatom electron states on MgO/Ag(100)
Haritz Garai-Marin, Julen Ibañez-Azpiroz, Peio Garcia-Goiricelaya +2
We study the strength of the electron-phonon interaction on Fe single adatoms on MgO/Ag(100) based on many-body \textit{ab-initio} spin collinear calculations. In particular, we an…
Zero-point quantum swing of magnetic couples
Juba Bouaziz, Julen Ibañez-Azpiroz, Filipe S. M. Guimarães +1
Quantum fluctuations are ubiquitous in physics. Ranging from conventional examples like the harmonic oscillator to intricate theories on the origin of the universe, they alter virt…
Spontaneous and externally driven quantum spin fluctuations of 3d and 4d single atoms adsorbed on graphene
Siham Sadki, Filipe Souza Mendes Guimarães, Juba Bouaziz +3
At the heart of current information nanotechnology lies the search for ideal platforms hosting the smallest possible magnets, i.e. single atoms with magnetic moments pointing out-o…
Assessing the role of interatomic position matrix elements in tight-binding calculations of optical properties
Julen Ibañez-Azpiroz, Fernando de Juan, Ivo Souza
We study the role of hopping matrix elements of the position operator in tight-binding calculations of linear and nonlinear optical properties of solids. Our ana…
Directional shift current in mirror-symmetric BCN
J. Ibañez-Azpiroz, I. Souza, F. de Juan
We present a theoretical study of the shift current in a noncentrosymmetric polytype of graphitic BCN. We find that the photoconductivity near the fundamental gap is strongly a…
Ab initio investigation of impurity-induced in-gap states in BiTe and BiSe
Juba Bouaziz, Manuel dos Santos Dias, Julen Ibañez-Azpiroz +1
We investigate in-gap states emerging when a single transition metal impurity is embedded in topological insulators (BiTe and BiSe). We use a combined approach…
Spin-fluctuation and spin-relaxation effects of single adatoms from first principles
Julen Ibañez-Azpiroz, Manuel dos Santos Dias, Stefan Blügel +1
Single adatoms offer an exceptional playground for studying magnetism and its associated dynamics at the atomic scale. Here we review recent results on single adatoms deposited on…
Ab initio calculation of the shift photocurrent by Wannier interpolation
Julen Ibañez-Azpiroz, Stepan S. Tsirkin, Ivo Souza
We describe and implement a first-principles algorithm based on maximally-localized Wannier functions for calculating the shift-current response of piezoelectric crystals in the in…
Non-degenerate valleys in the half-metallic ferromagnet Fe/WS
Omar Messaoudi, Julen Ibañez-Azpiroz, Hamid Bouzar +1
We present a first principles investigation of the electronic properties of monolayer WS coated with an overlayer of Fe. Our ab initio calculations reveal that the system is a…
Longitudinal and transverse spin relaxation times of magnetic single adatoms: an ab initio analysis
J. Ibañez-Azpiroz, M. dos Santos Dias, S. Blügel +1
We present a systematic ab initio investigation of the longitudinal and transverse spin relaxation times of magnetic single adatoms deposited on metallic substrates. Our analysis b…
Tuning paramagnetic spin-excitations of single adatoms
J. Ibañez-Azpiroz, M. dos Santos Dias, B. Schweflinghaus +2
Around 50 years ago, Doniach [Proc. Phys. Soc. 91, 86 (1967)] predicted the existence of paramagnons in nearly ferromagnetic materials, recently measured in bulk Pd [Phys. Rev. Let…