319 citations · 2.1k across the 65 of their papers we have counts for
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Design of altermagnetism in oxide superlattices exploiting interface effects and quantum confinement
Subhadeep Bandyopadhyay, Rossitza Pentcheva
The discovery of altermagnetism has initiated intensive research and opened new avenues for spin- tronic and transport applications. While current efforts are mostly focused on bul…
Delafossites as an unexpected competing phase to infinite-layer oxides
Armin Sahinovic, Benjamin Geisler, Rossitza Pentcheva
Motivated by the discovery of superconductivity in Sr-doped infinite-layer nickelate films on SrTiO(001), we explore the broader landscape of O oxides through comprehen…
Engineering the band structure of few-layer graphene by S-doping: from linear dispersion to impurity flat bands
Armin Sahinovic, Rossitza Pentcheva
Motivated by the technological relevance of S-doped few-layer graphene (FLG) in battery applications and in the oxygen reduction reaction, we systematically explore the effect of b…
Disentangling the dynamics of transient spin and orbital magnetization in SrTiO via the inverse Faraday effect from RT-TDDFT
Andri Darmawan, Markus E. Gruner, Rossitza Pentcheva
Motivated by recent evidence of ferroelectricity and even multiferroicity in the prototypical diamagnetic band insulator SrTiO from terahertz experiments, we investigate the ca…
THz carrier dynamics in interface two-dimensional electron gases
Ahana Bhattacharya, Andri Darmawan, Jeong Woo Han +10
A two-dimensional electron gas (2DEG) forms at the interface of complex oxides like (STO) and (LTO), despite each material having a low native conductivity,…
Spin polarization of the two-dimensional electron gas at the EuO/SrTiO interface
Paul Rosenberger, Andri Darmawan, Olena Fedchenko +10
Spin-polarized two-dimensional electron gases (2DEGs) are of particular interest for functional oxide electronics applications. The redox-created 2DEG residing on the strontium tit…
Electronic and optical properties of the fully and partially inverse CoFeO spinel from first principles calculations including many-body effects
Shohreh Rafiezadeh, Vijaya Begum-Hudde, Rossitza Pentcheva
Using density functional theory (DFT) calculations and state-of-the-art many-body perturbation theory, we investigate the electronic and optical properties of the inverse spinel Co…
Spatio-Temporal Electron Propagation Dynamics in Au/Fe/MgO(001) in nonequilibrium: Revealing Single Scattering Events and the Ballistic Limit
Markus Heckschen, Yasin Beyazit, Elaheh Shomali +9
Understanding the microscopic spatio-temporal dynamics of nonequilibrium charge carriers in heterosystems promises optimization of process and device design towards desired energy…
Tuning of the carrier localization, magnetic and thermoelectric properties in ultrathin (LaNiO)/(LaAlO)(001) superlattices by oxygen vacancies
Manish Verma, Rossitza Pentcheva
Using a combination of density functional theory calculations with an on-site Coulomb repulsion term (DFT+) and Boltzmann transport theory within the constant relaxation time ap…
Anisotropic carrier dynamics in a laser-excited Fe/(MgO)(001) heterostructure from real-time time-dependent DFT
Elaheh Shomali, Markus E. Gruner, Rossitza Pentcheva
The interaction of a femtosecond optical pulse with a Fe/(MgO)(001) metal/oxide heterostructure is investigated using time-dependent density functional theory (TDDFT) c…
Orbital selective switching of ferromagnetism in an oxide quasi two-dimensional electron gas
R. Di Capua, M. Verma, M. Radovic +16
Multi-orbital physics in quasi-two-dimensional electron gases (q2DEGs) triggers unique phenomena not observed in bulk materials, such as unconventional superconductivity and magnet…
Competition of defect ordering and site disproportionation in strained LaCoO on SrTiO(001)
Benjamin Geisler, Rossitza Pentcheva
The origin of the reconstruction observed in epitaxial LaCoO films on SrTiO is assessed by using first-principles calculations including a Coulomb repul…
A two-dimensional electron gas at the (001) surface of ferromagnetic EuTiO(001)
R. Di Capua, M. Verma, M. Radovic +10
Studies on oxide quasi-two dimensional electron gas (q2DEG) have been a playground for the discovery of novel and sometimes unexpected phenomena, like the reported magnetism at the…
Effect of lattice excitations on transient near edge X-ray absorption spectroscopy
N. Rothenbach, M. E. Gruner, K. Ollefs +17
Time-dependent and constituent-specific spectral changes in soft near edge X-ray spectroscopy (XAS) of an [Fe/MgO] metal/insulator heterostructure upon laser excitation are ana…
Interface-related magnetic and vibrational properties in Fe/MgO heterostructures from nuclear resonant spectroscopy and first-principles calculations
Benedikt Eggert, Markus E. Gruner, Katharina Ollefs +11
We combine Fe Mössbauer spectroscopy and Fe nuclear resonant inelastic x-ray scattering (NRIXS) in nanoscale polycrystalline [bcc-Fe/MgO] multilayers with vari…
Microscopic non-equilibrium energy transfer dynamics in a photoexcited metal/insulator heterostructure
N. Rothenbach, M. E. Gruner, K. Ollefs +15
The element specificity of soft X-ray spectroscopy makes it an ideal tool for analyzing the microscopic origin of ultrafast dynamics induced by localized optical excitation in meta…
Dynamics of optical excitations in a Fe/MgO(001) heterostructure from time-dependent density functional theory
Markus Ernst Gruner, Rossitza Pentcheva
In the framework of real-time time-dependent density functional theory (RT-TDDFT) we unravel the layer-resolved dynamics of the electronic structure of a (Fe)/(MgO)(001) mu…
Inducing - and -type thermoelectricity in oxide superlattices by strain tuning of orbital-selective transport resonances
Benjamin Geisler, Rossitza Pentcheva
By combining first-principles simulations including an on-site Coulomb repulsion term and Boltzmann theory, we demonstrate how the interplay of quantum confinement and epitaxial st…
Temperature-dependent spin-resolved electronic structure of EuO thin films
Tristan Heider, Timm Gerber, Okan Köksal +10
The electronic structure of the ferromagnetic semiconductor EuO is investigated by means of spin- and angle-resolved photoemission spectroscopy (spin-ARPES) and density functional…
Confinement- and strain-induced enhancement of thermoelectric properties in LaNiO/LaAlO superlattices
Benjamin Geisler, Rossitza Pentcheva
By combining ab initio simulations including an on-site Coulomb repulsion term and Boltzmann theory, we explore the thermoelectric properties of (LaNiO)/(LaAlO)(001…
Design of Chern Insulating Phases in Honeycomb Lattices
W. E. Pickett, K. -W. Lee, R. Pentcheva
The search for robust examples of the magnetic version of topological insulators, referred to as quantum anomalous Hall insulators or simply Chern insulators, so far lacks success.…
Unexpected Termination Switching and Polarity Compensation in LaAlO3/SrTiO3 heterostructures
Guneeta Singh-Bhalla, Pim B. Rossen, Gunnar K. Palsson +12
Polar crystals composed of charged ionic planes cannot exist in nature without acquiring surface changes to balance an ever-growing dipole. The necessary changes can manifest struc…
Confinement-driven electronic and topological phases in corundum-derived -oxide honeycomb lattices
Okan Köksal, Santu Baidya, Rossitza Pentcheva
Using density functional theory calculations including an on-site Coulomb term, we explore electronic and possibly topologically nontrivial phases in transition metal oxide ho…
Design of - and -type oxide thermoelectrics in LaNiO/SrTiO superlattices exploiting interface polarity
Benjamin Geisler, Ariadna Blanca-Romero, Rossitza Pentcheva
We investigate the structural, electronic, transport, and thermoelectric properties of LaNiO/SrTiO superlattices containing either exclusively - or -type interfa…