48 citations · 84 across the 6 of their papers we have counts for
7 papers
Polaron-mediated anisotropic exchange in 2D magnets
Johanna P. Carbone, Jakob Baumsteiger, Cesare Franchini
Two-dimensional (2D) magnets offer a rich platform for exploring emergent spin phenomena due to their unique and diverse magnetic properties. Beyond intrinsic magnetism, external m…
Machine-Learned Force Fields for Lattice Dynamics at Coupled-Cluster Level Accuracy
Sita Schönbauer, Johanna P. Carbone, Fredrik V. Eriksson +2
We investigate Machine-Learned Force Fields (MLFFs) trained on approximate Density Functional Theory (DFT) and Coupled Cluster (CC) level potential energy surfaces for the carbon d…
Magnetic anisotropy of atoms on a WSe monolayer: a DFT+U study
Johanna P. Carbone, Gustav Bihlmayer, Stefan Blügel
Inspired by recent advancements in the field of single-atom magnets, particularly those involving rare-earth (RE) elements, we present a theoretical exploration employing DFT+ c…
Investigation of magnetic properties of -adatoms on graphene
Johanna P. Carbone, Juba Bouaziz, Gustav Bihlmayer +1
Rare-earth (RE) atoms on top of 2D materials represent an interesting platform with the prospect of tailoring the magnetic anisotropy for practical applications. Here, we investiga…
Engineering spin-orbit effects and Berry curvature by deposition of Eu on WSe
Johanna P. Carbone, Dongwook Go, Yuriy Mokrousov +2
Motivated by recent progress in 2D spintronics, we present Eu deposited on a 1H-WSe as a promising platform for engineering spin-orbit effects and Berry curvature. By first-pri…
Spin and orbital transport in rare earth dichalcogenides: The case of EuS
Mahmoud Zeer, Dongwook Go, Johanna P. Carbone +7
We perform first-principles calculations to determine the electronic, magnetic and transport properties of rare-earth dichalcogenides taking a monolayer of the H-phase EuS as a…
An analysis of the performance of coupled cluster methods for core excitations and core ionizations using standard basis sets
Johanna P. Carbone, Lan Cheng, Rolf H. Myhre +3
An extensive analysis has been carried out of the performance of standard families of basis sets with the hierarchy of coupled cluster methods CC2, CCSD, CC3 and CCSDT in computing…