33 citations · 72 across the 4 of their papers we have counts for
4 papers
Role of zero-point effects in stabilizing the ground state structure of bulk Fe2P
Soumya S. Bhat, Kapil Gupta, Satadeep Bhattacharjee +1
Structural stability of Fe2P is investigated in detail using first-principles calculations based on density functional theory. While the orthorhombic C23 phase is found to be energ…
Strain induced metal-insulator transition in ultrathin films of SrRuO
Kapil Gupta, Basudeb Mandal, Priya Mahadevan
The ultrathin film limit has been shown to be a rich playground for unusual low dimensional physics. Taking the example of SrRuO which is ferromagnetic and metallic at the bulk…
Orbital ordering induced ferroelectricity in SrCrO3
Kapil Gupta, Priya Mahadevan, Phivos Mavropoulos +1
Using density functional theory calculations, ultrathin films of SrVO3(d1) and SrCrO3(d2) on SrTiO3 substrates have been studied as possible multiferroics. Although both are metall…
Strain driven magnetism in thin films of LaCoO3
Kapil Gupta, Priya Mahadevan
The electronic structure of epitaxial films on LaCoO3(LCO) has been studied within first principle electronic structure calculations. A spin state transition is found to take place…