Importance of intersite Hubbard interactions in β-MnO2: A first-principles DF...

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We present a first-principles investigation of the structural, electronic, and magnetic properties of pyrolusite (β-MnO2) using conventional and extended Hubbard-corrected...

Importance of intersite Hubbard interactions in β-MnO2: A first-principles DFT+U+V study

We present a first-principles investigation of the structural, electronic, and magnetic properties of pyrolusite (β-MnO2) using conventional and extended Hubbard-corrected density-functional theory (D

DataCite Commons2026-03-12 更新30

First-principles design of ferromagnetic monolayer MnO2 at the complex interface

The crystal structure (POSCAR format) of the heterostructre studied in the manuscript entitled "First-principles design of ferromagnetic monolayer MnO$_2$ at the complex interface" that is currently u

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First-principles design of ferromagnetic monolayer MnO2 at the complex interface

Zenodo2023-04-19 更新00

Importance of intersite Hubbard interactions in β-MnO2: A first-principles DFT+U+V study

DataCite Commons2026-03-12 更新00

First-principles design of ferromagnetic monolayer MnO2 at the complex interface

Zenodo2023-04-19 更新00