Shivani Grover

activity

20202022

most citedRaman and first-principles study of the pressure induced Mott-insulator to metal transition in bulk FePS

_{3}

15 citations · 35 across the 4 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

3 papers · 1 filter

cond-mat.mtrl-sci2022★ 4 cited

Co-substituted BiFeO3: electronic, ferroelectric, and thermodynamic properties from first principles

Shivani Grover, Keith T. Butler, Umesh V Waghmare +1

Bismuth ferrite, BiFeO3, is a multiferroic solid that is attracting increasing attention as a potential photocatalytic material, because the ferroelectric polarisation enhances the…

cond-mat.mtrl-sci2021★ 14 cited

Mixed-anion mixed-cation perovskite (FAPbI $_{3}$ ) $_{0.875}$ (MAPbBr $_{3}$ ) $_{0.125}$ : an ab-initio molecular dynamics study

Eduardo Menéndez-Proupin, Shivani Grover, Ana L. Montero-Alejo +3

Mixed-anion mixed-cation perovskites with (FAPbI $_{3}$ ) $_{1 - x}$ (MAPbBr $_{3}$ ) $_{x}$ composition have allowed record efficiencies in photovoltaic solar cells, but their atomic-scale behav…

cond-mat.mtrl-sci2021★ 15 cited

Raman and first-principles study of the pressure induced Mott-insulator to metal transition in bulk FePS $_{3}$

Subhadip Das, Shashank Chaturvedi, Debashis Tripathy +6

Recently discovered class of 2D materials based on transition metal phosphorous trichalcogenides exhibit antiferromagnetic ground state, with potential applications in spintronics.…

Co-substituted BiFeO3: electronic, ferroelectric, and thermodynamic properties from first principles

Mixed-anion mixed-cation perovskite (FAPbI3​)0.875​(MAPbBr3​)0.125​: an ab-initio molecular dynamics study

Raman and first-principles study of the pressure induced Mott-insulator to metal transition in bulk FePS3​

Mixed-anion mixed-cation perovskite (FAPbI $_{3}$ ) $_{0.875}$ (MAPbBr $_{3}$ ) $_{0.125}$ : an ab-initio molecular dynamics study

Raman and first-principles study of the pressure induced Mott-insulator to metal transition in bulk FePS $_{3}$