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The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy
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 …
predicting electronic excitations in chemical compounds and materials. In the realm of …
Rare-earth mononitrides
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 …
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)
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 …
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
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 …
molecular complexes and extended solids continues to be a fertile area of research. The …
Electronic properties of lanthanide oxides from the perspective
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 …
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 …
microstructural, optical and electrical properties of lead-free piezoelectric materials based on …
Beyond the approximation: A second-order screened exchange correction
Motivated by the recently developed renormalized second-order perturbation theory for
ground-state energy calculations, we propose a second-order screened exchange …
ground-state energy calculations, we propose a second-order screened exchange …
Indications of a ferromagnetic quantum critical point in
We investigate the previously observed superconductivity in ferromagnetic SmN in the
context of the breakdown of order between two magnetic phases. Nitrogen vacancy doped …
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
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 …
(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 …
electronic properties was studied and correlated with the photocatalytic efficiency. The …