The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

D Golze, M Dvorak, P Rinke - Frontiers in chemistry, 2019 - frontiersin.org
The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …

Rare-earth mononitrides

F Natali, BJ Ruck, NOV Plank, HJ Trodahl… - Progress in Materials …, 2013 - Elsevier
When the rare earth mononitrides (RENs) first burst onto the scientific scene in the middle of
last century, there were feverish dreams that their strong magnetic moment would afford a …

Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6x (x = 3, 2)

MW Löble, JM Keith, AB Altman… - Journal of the …, 2015 - ACS Publications
Covalency in Ln–Cl bonds of O h-LnCl6 x–(x= 3 for Ln= CeIII, NdIII, SmIII, EuIII, GdIII; x= 2 for
Ln= CeIV) anions has been investigated, primarily using Cl K-edge X-ray absorption …

The chemical and physical properties of tetravalent lanthanides: Pr, Nd, Tb, and Dy

TP Gompa, A Ramanathan, NT Rice… - Dalton Transactions, 2020 - pubs.rsc.org
The fundamental redox chemistry and valence electronic structure of the lanthanides in
molecular complexes and extended solids continues to be a fertile area of research. The …

Electronic properties of lanthanide oxides from the perspective

H Jiang, P Rinke, M Scheffler - Physical Review B—Condensed Matter and …, 2012 - APS
A first-principles understanding of the electronic properties of f-electron systems is currently
regarded as a great challenge in condensed-matter physics because of the difficulty in …

Effects of do** with selected rare-earth elements (Eu3+, Dy3+, Eu3+/Dy3+) on the structural characteristics as well as electrical and luminescent properties of K0 …

M Lubszczyk, T Brylewski, K Konieczny… - Journal of Alloys and …, 2024 - Elsevier
The effects of adding Eu 3+, Dy 3+, and Eu 3+/Dy 3+ rare-earth elements on the
microstructural, optical and electrical properties of lead-free piezoelectric materials based on …

Beyond the approximation: A second-order screened exchange correction

X Ren, N Marom, F Caruso, M Scheffler, P Rinke - Physical Review B, 2015 - APS
Motivated by the recently developed renormalized second-order perturbation theory for
ground-state energy calculations, we propose a second-order screened exchange …

Indications of a ferromagnetic quantum critical point in

WF Holmes-Hewett, K Van Koughnet, JD Miller… - Scientific Reports, 2023 - nature.com
We investigate the previously observed superconductivity in ferromagnetic SmN in the
context of the breakdown of order between two magnetic phases. Nitrogen vacancy doped …

Influence of nitrogen stoichiometry and the role of Sm states in SmN thin films

A Meléndez-Sans, VM Pereira, CF Chang, CY Kuo… - Physical Review B, 2024 - APS
We report a comprehensive study of the synthesis of epitaxial SmN thin films on LaAlO 3
(100) by molecular beam epitaxy under slow-growth conditions. By carefully tuning the …

Probing the Site-Selective Do** in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations

L Chantelle, AL Menezes de Oliveira… - Inorganic …, 2020 - ACS Publications
The impact of Eu3+ do** at the Sr2+ and Sn4+ sites in SrSnO3 on its structural and
electronic properties was studied and correlated with the photocatalytic efficiency. The …