Concepedia

A first-principles investigation of structural, mechanical, electronic and magnetic properties of CsMgO3 perovskite

Toufik Nouri, Friha Khelfaoui, Kadda Amara, Fadila Belkharroubi, Y. Al‐Douri, Ali Abu Odeh, Riyadh A. Al-Samarai

Chemical Physics · 2024 · 20 citations · 40 references

Concepts

Natural SciencesMaterials SciencePhysicsCrystal StructureMaterials ChemistryMaterials PhysicsFerromagnetismMagnetic OxidesMagnetic Properties Of SolidsMagnetism In SolidsMagnetism Of Inorganic CompoundsPerovskite MaterialsFirst-principles MagnetismFirst-principles ModelingMagnetic PerovskitesMagnetic PropertiesOxide PerovskitesPerovskite Crystal StructurePerovskite Semiconductors

References

40

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

Natural Sciences, Chemistry, Physics +17

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

Natural Sciences, Materials Science, Physics +17

Advanced capabilities for materials modelling with Quantum ESPRESSO

Journal of Physics Condensed Matter · 2017 · 7.5K citations · Full text

Natural Sciences, Materials Science, Physics +16

Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

Matthias Ernzerhof, Gustavo E. Scuseria · The Journal of Chemical Physics · 1999 · 5.4K citations

Natural Sciences, Chemistry, Physics +16

Necessary and sufficient elastic stability conditions in various crystal systems

Félix Mouhat, François‐Xavier Coudert · Physical Review B · 2014 · 4.8K citations · Full text

Natural Sciences, Materials Science, Physics +17