Localized electronic vacancy level and its effect on the properties of doped manganites

D. Juan, M. Pruneda, and V. Ferrari

Scientific Reports 11, 6706 (2021) DOI: 10.1038/s41598-021-85945-5

Thermal and Tidal Evolution of Uranus with a Growing Frozen Core

L. Stixrude, S. Baroni, and F. Grasselli

Planet. Sci. J. 2 222 DOI: 10.3847/PSJ/ac2a47

Manipulation of spin transport in graphene/transition metal dichalcogenide heterobilayers upon twisting

A. Pezo, Z. Zanolli, N. Wittemeier, P. Ordejon, A. Fazzio, S. Roche, and J. H. Garcia

2D Mater. 9 015008 DOI: 10.1088/2053-1583/ac3378

Evidence of ideal excitonic insulator in bulk MoS2under pressure

S. S. Ataei, D. Varsano, E. Molinari, and M. Rontani

PNAS 118 (13) e2010110118 DOI: 10.1073/pnas.2010110118

Multiple exciton generation in isolated and interacting silicon nanocrystals

I. Marri and S. Ossicini

Nanoscale13, 12119-12142 DOI: 10.1039/D1NR01747K

Shear and Breathing Modes of Layered Materials

G. Pizzi, S. Milana, A. C. Ferrari, N. Marzari, and M. Gibertini

ACS Nano 2021, 15, 8, 12509–12534 DOI: 10.1021/acsnano.0c10672

OPTIMADE, an API for exchanging materials data

C. W. Andersen, R. Armiento, E. Blokhin, G. J. Conduit, S. Dwaraknath, M. L. Evans, A. Fekete, A. Gopakumar, S. Gražulis, A. Merkys, F. Mohamed, C. Oses, G. Pizzi, G. M. Rignanese, M. Scheidgen, L. Talirz, C. Toher, D. Winston, R. Aversa, K. Choudhary, P. Colinet, S. Curtarolo, D. Di Stefano, C. Draxl, S. Er, Suleyman;, M. Esters, M. Fornari, M. Giantomassi, M. Govoni, G. Hautier, V. Hegde, M. K. Horton, P. Huck, G. Huhs, J. Hummelshøj, A. Kariryaa, B. Kozinsky, S. Kumbhar, M. Liu, N. Marzari, A. J. Morris, A. Mostofi, K. A. Persson, G. Petretto, T. Purcell, F. Ricci, F. Rose, M.

Sci Data 8, 217 DOI: 10.1038/s41597-021-00974-z

Excitons and carriers in transient absorption and time-resolved ARPES spectroscopy: An ab initio approach

D. Sangalli 

Phys. Rev. Materials 5, 083803 DOI: 10.1103/PhysRevMaterials.5.083803

Atomic-scale defects restricting structural superlubricity: Ab initio study study on the example of the twisted graphene bilayer

A. S. Minkin, I. V. Lebedeva, A. M. Popov, and A. A. Knizhnik

Phys. Rev. B 104, 075444 DOI: 10.1103/PhysRevB.104.075444

Basic aspects of the charge density wave instability of transition metal trichalcogenides NbSe3 and monoclinic-TaS3

B. Guster, M. Pruneda, P. Ordejón, E. Canadell, and J.-P. Pouget

J. Phys Cond Mat 33, 48 DOI: 10.1088/1361-648X/ac238a