Tilak Das

most citedStructural and electronic properties of V

_{2}

_{5}

and MoO

_{3}

bulk and ultrathin layers

1 citations · 2 across the 3 of their papers we have counts for

collaborators

3 papers

cond-mat.mtrl-sci2018★ 1 cited

Structural and electronic properties of V $_{2}$ O $_{5}$ and MoO $_{3}$ bulk and ultrathin layers

Tilak Das, Sergio Tosoni, Gianfranco Pacchioni

The structural and electronic properties of bulk, monolayer and ultrathin films of V $_{2}$ O $_{5}$ and MoO $_{3}$ layered oxides have been studied with first-principles density functional…

physics.geo-ph2018

Water incorporation in Fe-containing wadsleyite from density functional theory at extreme conditions

Tilak Das, Swastika Chatterjee, Tanusri Saha-Dasgupta

Using first-principles density functional theory (DFT), we studied the issue of water incorporation in iron bearing wadsleyite (Mg $_{2}$ SiO $_{4}$ )mineral at transition zone pressures a…

cond-mat.mtrl-sci2018★ 1 cited

Absolute Reference Energy to Realign the Band-edges of Inorganic Semiconductors Using First-principles Calculations

Tilak Das, Xavier Rocquefelte, Stèphane Jobic

The challenge of finding an absolute reference energy from first-principles simulations to realigning semiconductor's valence band-top and conduction band-bottom, a theoretical met…

Structural and electronic properties of V2​O5​ and MoO3​ bulk and ultrathin layers

Water incorporation in Fe-containing wadsleyite from density functional theory at extreme conditions

Absolute Reference Energy to Realign the Band-edges of Inorganic Semiconductors Using First-principles Calculations

Structural and electronic properties of V $_{2}$ O $_{5}$ and MoO $_{3}$ bulk and ultrathin layers