Ab initio study of the half-metallic full-Heusler compounds Co2ZAl [Z = Sc, Ti, V, Cr, Mn, Fe]; the role of electronic correlations

Effect of doping on SGS and weak half-metallic properties of inverse Heusler Alloys

(2020) R. Dhakal et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Precision and efficiency in solid-state pseudopotential calculations

(2018) Gianluca Prandini et al.   npj Computational Materials

Reproducibility in density functional theory calculations of solids

(2016) K. Lejaeghere et al.   SCIENCE

Effect of the double-counting functional on the electronic and magnetic properties of half-metallic magnets using the GGA+U method

(2015) Christos Tsirogiannis et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Electronic and phonon properties of the full-Heusler alloys X2YAl (X = Co, Fe and Y = Cr, Sc): a density functional theory study

(2014) N. Arıkan et al.   JOURNAL OF MATERIALS SCIENCE

Future perspectives for spintronic devices

(2014) Atsufumi Hirohata et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Slater-Pauling behavior in LiMgPdSn-type multifunctional quaternary Heusler materials: Half-metallicity, spin-gapless and magnetic semiconductors

(2013) K. Özdoğan et al.   JOURNAL OF APPLIED PHYSICS

Ab initiocalculation of the effective on-site Coulomb interaction parameters for half-metallic magnets

(2013) Ersoy Şaşıoğlu et al.   PHYSICAL REVIEW B

Generalized Slater-Pauling rule for the inverse Heusler compounds

(2013) S. Skaftouros et al.   PHYSICAL REVIEW B

Ground state calculation of the electronic structure and magnetic properties of Co2VAl: a local spin density approximation with exchange correlation potential study

(2012) D P Rai et al.   PHYSICA SCRIPTA

Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg2SiO4

(2011) M. De La Pierre et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Assessing the performance of recent density functionals for bulk solids

(2009) Gábor I. Csonka et al.   PHYSICAL REVIEW B