Year-2017 nuclear quadrupole moments
P Pyykkö - Molecular Physics, 2018 - Taylor & Francis
ABSTRACT A 'year-2017'set of nuclear quadrupole moments, Q, is presented. Compared to
the previous,'year-2008'set, a major revision of the value, or an improvement of the accuracy …
the previous,'year-2008'set, a major revision of the value, or an improvement of the accuracy …
Multi-method identification and characterization of the intermetallic surface layers of hot-dip Al-coated steel: FeAl3 or Fe4Al13 and Fe2Al5 or Fe2Al5+ x
A Van Alboom, B Lemmens, B Breitbach… - Surface and Coatings …, 2017 - Elsevier
Until now, several different chemical formulae are used to refer to the intermetallic θ-and η-
layers formed at the surface of hot-dip aluminized steel. To clear up the subsequent …
layers formed at the surface of hot-dip aluminized steel. To clear up the subsequent …
Free Molecule Studies by Perturbed Angular Correlation: A New Path to Accurate Nuclear Quadrupole Moments
Accurate nuclear quadrupole moment values are essential as benchmarks for nuclear
structure models and for the interpretation of experimentally determined nuclear quadrupole …
structure models and for the interpretation of experimentally determined nuclear quadrupole …
Ab initio calculation of structural, electronic and magnetic properties and hyperfine parameters at the Fe sites of pristine ZnFe2O4
JJM Quintero, CER Torres, LA Errico - Journal of Alloys and Compounds, 2018 - Elsevier
In this work we present an ab initio study of structural, electronic, magnetic and hyperfine
properties of pristine Zn-ferrite (ZnFe 2 O 4, ZFO). Density Functional Theory calculations …
properties of pristine Zn-ferrite (ZnFe 2 O 4, ZFO). Density Functional Theory calculations …
Quadrupole moments of Cd and Zn nuclei: When solid-state, molecular, atomic, and nuclear theory meet
The nuclear quadrupole moment $(Q) $ of the 5/2+ isomeric state of 111 Cd, of particular
importance to the interpretation of Perturbed Angular Correlation experiments in condensed …
importance to the interpretation of Perturbed Angular Correlation experiments in condensed …
Investigation of Ni/Ni3C Nanoparticle Synthesis for Application as a Catalyst in Carbon Nanostructure Growth
CWC Silva, GA Cabrera-Pasca, KS Souza… - ACS Applied Nano …, 2023 - ACS Publications
The synthesis of functional Ni/Ni3C nanoparticles has attracted significant interest,
especially in the field of electrocatalysis, where these promising nanoparticles are employed …
especially in the field of electrocatalysis, where these promising nanoparticles are employed …
High order relativistic corrections on the electric field gradient within the LRESC formalism
In this work, we present relativistic corrections to the electric field gradient (EFG) given by the
Linear Response Elimination of the Small Component (LRESC) scheme at 1/c 2 order and …
Linear Response Elimination of the Small Component (LRESC) scheme at 1/c 2 order and …
Towards an ab initio theory for the temperature dependence of electric field gradients in solids: Application to hexagonal lattices of Zn and Cd
AV Nikolaev, NM Chtchelkatchev, DA Salamatin… - Physical Review B, 2020 - APS
Based on ab initio band-structure calculations we formulate a general theoretical method for
description of the temperature dependence of an electric-field gradient in solids. The method …
description of the temperature dependence of an electric-field gradient in solids. The method …
Locally symmetric oxygen vacancy around Cd impurities in
WL Ferreira, LFD Pereira, OFS Leite Neto, LS Maciel… - Physical Review B, 2021 - APS
A detailed investigation of the electronic structure in the neighborhood of Cd impurities in
CeO 2 has been performed by ab initio calculations to elucidate the interplay between the …
CeO 2 has been performed by ab initio calculations to elucidate the interplay between the …
Experimental TDPAC and Theoretical DFT Study of Structural, Electronic, and Hyperfine Properties in (111In → )111Cd-Doped SnO2 Semiconductor: Ab Initio …
In this paper we investigate the effect of Cd doping at ultralow concentrations in SnO2 both
experimentally, by measuring the temperature dependence of the electric quadrupole …
experimentally, by measuring the temperature dependence of the electric quadrupole …