544 citations · 813 across the 11 of their papers we have counts for
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Transferring Orbital Angular Momentum to an Electron Beam Reveals Toroidal and Chiral Order
Kayla X. Nguyen, Yi Jiang, Michael C. Cao +13
Orbital angular momentum and torque transfer play central roles in a wide range of magnetic textures and devices including skyrmions and spin-torque electronics(1-4). Analogous top…
First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180 domain walls in PbTiO ferroelectric thin films
James Sifuna, Pablo García-Fernández, George S. Manyali +2
We study from first-principles the structural and electronic properties of head-to-head (HH) and tail-to-tail (TT) 180 domain walls in isolated free-standing PbTiO sl…
Comparison of band-fitting and Wannier-based model construction for WSe
James Sifuna, Pablo García-Fernández, George S. Manyali +2
Transition metal dichalcogenide materials are being thoroughly studied due to their novel two-dimensional structure, that is associated with exceptional opti…
Theoretical guidelines to create and tune electric skyrmions
M. A. P. Gonçalves, Carlos Escorihuela-Sayalero, Pablo García-Fernández +2
Magnetic skyrmions are mesmerizing spin textures with peculiar topological and dynamical properties, typically the product of competing interactions in ferromagnets, and with great…
Second-principles method including electron and lattice degrees of freedom
Pablo García-Fernández, Jacek C. Wojdeł, Jorge Íñiguez +1
We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same fo…
Lattice screening of the polar catastrophe and hidden in-plane polarization in KNbO/BaTiO interfaces
Pablo García-Fernández, Pablo Aguado-Puente, Javier Junquera
We have carried out first-principles simulations, based on density functional theory, to obtain the atomic and electronic structure of (001) BaTiO/KNbO interfaces in an…
First-principles modeling of the thermoelectric properties of SrTiO/SrRuO superlattices
Pablo García-Fernández, Marcos Verissimo-Alves, Daniel I. Bilc +2
Using a combination of first-principles simulations, based on the density functional theory and Boltzmann's semiclassical theory, we have calculated the transport and thermoelectri…