1. Dipòsit Digital de la Universitat de Barcelona

Search


Current filters:

Start a new search
Add filters:

Use filters to refine the search results.

 | 
Results 1-10 of 14 (Search time: 0.03 seconds).
Item hits:
Issue DateTitleAuthor(s)
1-Jul-2015Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of 𝛿-Bi2O3Galván, D.H.; Núñez-González, R.; Rangel, R.; Alemany i Cahner, Pere; Posada-Amarillas, A.
21-Mar-2019Fermi surface properties of the bifunctional organic metal κ-(BETS)2Mn[N(CN)2]3 near the metal-insulator transitionZverev, V.N.; Biberacher, W.; Oberbauer, S.; Sheikin, I.; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Kartsovnik M.V.
6-Feb-2022Theoretical calculations of the effect of nitrogen substitution on the structural, vibrational, and electronic properties of wolframite-type ScTaO4 at ambient conditionsKaraouzène, Lotfi I.; Ouahrani, Tarik; Morales García, Ángel; Errandonea, Daniel
5-May-2005A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbidesViñes Solana, Francesc; Sousa Romero, Carmen; Liu, Ping; Rodríguez, José A.; Illas i Riera, Francesc
2015Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree-Fock exchangeNotario Estévez, Almudena; Kozlov, Sergey; Viñes Solana, Francesc; Illas i Riera, Francesc
6-Sep-2021Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles studyHmok, HLinh; Betancourt, I.; Martínez-Aguilar, E.; Ribas Ariño, Jordi; Raymond Herrera, Oscar
4-Feb-2020Effect of La3+/Sr2+ ordering on the magnetic properties of La2/3Sr1/3MnO3 by first principles calculationsHmok, HLinh; Martínez-Aguilar, E.; Ribas Ariño, Jordi; Siqueiros, J. M.; Sanchez Llamazares, José Luis; Raymond Herrera, Oscar
2004Extent and limitations of density functional theory in describing magnetic systemsIllas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Filatov, M.
2003Electronic structure of a neutral oxygen vacancy in SrTiO3Ricci, Davide; Bano, Giuseppe; Pacchioni, Gianfranco; Illas i Riera, Francesc
2004Electronic and magnetic structure of LaMnO3 from hybrid periodic density-functional theoryMuñoz Ramos, David; Harrison, N. M.; Illas i Riera, Francesc

Discover