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Continuous melting through a hexatic phase in confined bilayer water
Jon Zubeltzu, Fabiano Corsetti, M. V. Fernandez-Serra +1
Liquid water is not only of obvious importance but also extremely intriguing, displaying many anomalies that still challenge our understanding of such an a priori simple system. Th…
Ab initio calculation of the shock Hugoniot of bulk silicon
Oliver Strickson, Emilio Artacho
We describe a simple annealing procedure to obtain the Hugoniot locus (states accessible by a shock wave) for a given material in a computationally efficient manner. We apply this…
Fermi surfaces and orbital polarization in superconducting CeOFBiS revealed by angle-resolved photoemission spectroscopy
T. Sugimoto, D. Ootsuki, C. Morice +18
We have investigated the electronic structure of BiS-based CeOFBiS superconductor using polarization-dependent angle-resolved photoemission spectroscopy (AR…
Two-dimensional electron gas at the PbTiO/SrTiO interface: an ab initio study
Binglun Yin, Pablo Aguado-Puente, Shaoxing Qu +1
In the polar catastrophe scenario, polar discontinuity accounts for the driving force of the formation of a two-dimensional electron gas (2DEG) at the interface between polar and n…
Enhanced configurational entropy in high-density nanoconfined bilayer ice
Fabiano Corsetti, Jon Zubeltzu, Emilio Artacho
A novel kind of crystal order in high-density nanoconfined bilayer ice is proposed from molecular dynamics and density-functional theory simulations. A first-order transition is ob…
Model of two-dimensional electron gas formation at ferroelectric interfaces
Pablo Aguado-Puente, Nicholas. C. Bristowe, Binglun Yin +4
The formation of a two-dimensional electron gas at oxide interfaces as a consequence of polar discontinuities has generated an enormous amount of activity due to the variety of int…