R. Mahajan

activity

20072025

most citedImportance of intersite Hubbard interactions in

β

-MnO

_{2}

: A first-principles DFT+

U

V

study

30 citations · 33 across the 3 of their papers we have counts for

collaborators

Showing 2021Show all

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cond-mat.mtrl-sci2021★ 30 cited

Importance of intersite Hubbard interactions in $β$ -MnO $_{2}$ : A first-principles DFT+ $U$ + $V$ study

Ruchika Mahajan, Iurii Timrov, Nicola Marzari +1

We present a first-principles investigation of the structural, electronic, and magnetic properties of pyrolusite ( $β$ -MnO $_{2}$ ) using conventional and extended Hubbard-corrected den…

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

Importance of intersite Hubbard interactions in $β$ -MnO $_{2}$ : A first-principles DFT+ $U$ + $V$ study