Topology, Oxidation States, and Charge Transport in Ionic Conductors

P. Pegolo, S. Baroni, and F. Grasselli

Annalen der physik 2200123 (2022) DOI: 10.1002/andp.202200123

Tuning the topological band gap of bismuthene with silicon-based substrates

N. Wittemeier, P. Ordejón, and Z. Zanolli

J. Phys. Mater. 5 035002 (2022) DOI: 10.1088/2515-7639/ac84ad

SporTran: A code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series

L. Ercole, R. Bertossa, S. Bisacchi, and S. Baroni

Computer Physics Communications 280, 108470 (2022) DOI: 10.1016/j.cpc.2022.108470

Exciton-phonon interaction calls for a revision of the “exciton” concept

F. Paleari and A. Marini

Phys. Rev. B 106, 125403 (2022) DOI: 10.1103/PhysRevB.106.125403

Surface termination dependence of electronic and optical properties in Ti2CO2 MXene monolayers

Z. Kandemir, E. Torun, F. Paleari, C. Yelgel, and C. Sevik

Phys. Rev. Materials 6, 026001 (2022) DOI: 10.1103/PhysRevMaterials.6.026001

turboMagnon – A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory

T. Gornia, O. Baseggio, P. Delugas, S. Baroni, and I. Timrov

Computer Physics Communication 280, 108500 (2022) DOI: 10.1016/j.cpc.2022.108500

Surface termination dependence of electronic and optical properties in Ti2CO2 MXene monolayers

Z. Kandemir, E. Torun, F. Paleari, C. Yelgel, and C. Sevik

Phys. Rev. Materials 6, 026001 (2022) DOI: 10.1103/PhysRevMaterials.6.026001

Bulk and surface electronic structure of Bi4Te3 from GW calculations and photoemission experiments

D. Nabok, M. Tas, S. Kusaka, E. Durgun, C. Friedrich, G. Bihlmayer, S. Blügel, T. Hirahara, and I. Aguilera

Phys. Rev. Materials 6, 034204 (2022) DOI: 10.1103/PhysRevMaterials.6.034204

Full orbital decomposition of Yu-Shiba-Rusinov states based on first principles

T. G. Saunderson, J. F. Annett, G. Csire, and M. Gradhand

Phys. Rev. B 105, 014424 (2022) DOI: 10.1103/PhysRevB.105.014424

Merging of superfluid helium nanodroplets with vortices

J. M. Escartín, F. Ancilotto, M. Barranco, and M. Pi

Phys. Rev. B 105, 024511 (2022) DOI: 10.1103/PhysRevB.105.024511

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