187 citations · 3.1k across the 76 of their papers we have counts for
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Phonon-assisted spin splitting in centrosymmetric crystals
Bartomeu Monserrat, David Vanderbilt
For static crystals it is well known that electronic states are doubly degenerate in their spin degree of freedom in the presence of time reversal and inversion symmetries. This de…
Stochastic sampling of quadrature grids for the evaluation of vibrational expectation values
Pablo López Ríos, Bartomeu Monserrat, Richard J. Needs
The thermal lines method for the evaluation of vibrational expectation values of electronic observables [B. Monserrat, Phys. Rev. B 93, 014302 (2016)] was recently proposed as a ph…
Phonon-assisted optical absorption in BaSnO from first principles
Bartomeu Monserrat, Cyrus E. Dreyer, Karin M. Rabe
The perovskite BaSnO provides a promising platform for the realization of an earth abundant -type transparent conductor. Its optical properties are dominated by a dispersive…
Temperature dependence of the bulk Rashba splitting in the bismuth tellurohalides
Bartomeu Monserrat, David Vanderbilt
We study the temperature dependence of the Rashba-split bands in the bismuth tellurohalides BiTe I, Br, Cl) from first principles. We find that increasing temperature redu…
Antiferroelectric topological insulators in orthorhombic MgBi compounds ( Li, Na, K)
Bartomeu Monserrat, Joseph W. Bennett, Karin M. Rabe +1
We introduce antiferroelectric topological insulators as a new class of functional materials in which an electric field can be used to control topological order and induce topologi…