Materials Science · Physics
Extraction of crystal-field parameters for lanthanide ions from quantum-chemical calculations
L. Hu, M. F. Reid, C. K. Duan, S. Xia +1
2012-01-25
Strongly Correlated Electrons · Physics
Crystal field and magnetism of Pr$^{3+}$ and Nd$^{3+}$ ions in orthorhombic perovskites
P. Novak, K. Knizek, M. Marysko, Z. Jirak +1
2013-10-24
Chemical Physics · Physics
\emph{Ab initio} derivation of the crystal field parameters for lanthanide ions: The f$^1$ case
Dumitru-Claudiu Sergentu, Gwenhaël Duplaix-Rata, Ionel Humelnicu, Boris Le Guennic +1
2025-11-25
Materials Science · Physics
On the calculation of crystal field parameters using Wannier functions
Andrea Scaramucci, Jens Ammann, Nicola A. Spaldin, Claude Ederer
2025-06-10
Materials Science · Physics
Reproduction of the electronic and magnetic structure of the low symmetry sites of Y$_{2}$SiO$_{5}$ doped with Sm$^{3+}$ via a parameterized crystal-field model
N. L. Jobbitt, J. -P. R. Wells, M. F. Reid
2022-06-29
Mesoscale and Nanoscale Physics · Physics
Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table
Diego Pasquier, Oleg V. Yazyev
2018-10-03
Strongly Correlated Electrons · Physics
Crystal field splittings in rare earth-based hard magnets: an ab initio approach
Pascal Delange, Silke Biermann, Takashi Miyake, Leonid Pourovskii
2017-11-15
Strongly Correlated Electrons · Physics
Crystal-field splitting for low symmetry systems in ab initio calculations
S. V. Streltsov, A. S. Mylnikova, A. O. Shorikov, Z. V. Pchelkina +2
2007-05-23
Materials Science · Physics
Complete crystal field calculation of Zeeman-hyperfine splittings in europium
Kieran M. Smith, Michael F. Reid, Matthew J. Sellars, Rose L. Ahlefeldt
2022-04-13
Strongly Correlated Electrons · Physics
Crystal field investigation in the light rare earth R$_3$Pt$_{23}$Si$_{11}$ compounds
R. M. Galéra, C. Opagiste, M. Amara, J. C. Toussaint +2
2016-12-13
Materials Science · Physics
Simulating complex crystal structures using the phase-field crystal model
Eli Alster, David Montiel, Katsuyo Thornton, Peter W. Voorhees
2017-11-15
Materials Science · Physics
Crystal field and related phenomena in hexagonal close-packed H2 and D2 under pressure
Yu. A. Freiman, S. M. Tretyak, Alexei Grechnev, Alexander F. Goncharov +1
2014-01-24
Materials Science · Physics
Algorithm to compute the electric field gradient tensor in ionic crystals
J. J. Hernández, Gómez, V. Marquina, R. Gómez
2012-04-04
Optics · Physics
High-resolution spectroscopy of Pr3+ions in YAl3(BO3)4:Pr3+. Crystal-field, hyperfine,and electron-deformation interactions
B. Z. Malkin, T. A. Igolkina, K. N. Boldyrev, A. Baraldi +2
2026-02-10
Materials Science · Physics
Crystal-field interaction and oxygen stoichiometry effects in strontium-doped rare-earth cobaltates
A. Furrer, A. Podlesnyak, M. Frontzek, I. Sashin +3
2014-10-27
Materials Science · Physics
Calculation of the Band Gap Energy of Ionic Crystals
A. Aguado, A. Ayuela, J. M. Lopez, J. A. Alonso. J. F. Rivas-Silva +1
2007-05-23