86 citations · 462 across the 18 of their papers we have counts for
18 papers
Dynamical Screening of Local Spin Moments at Metal-Molecule Interfaces
Sumanta Bhandary, Emiliano Poli, Gilberto Teobaldi +1
Transition-metal phthalocyanine molecules have attracted considerable interest in the context of spintronics device development due to their amenability to diverse bonding regimes…
A theoretical perspective on the modification of the magnetocrystalline anisotropy at molecule-cobalt interfaces
Anita Halder, Sumanta Bhandary, David D. O'Regan +2
We study the modification of the magnetocrystalline anisotropy (MCA) of Co slabs induced by several different conjugated molecular overlayers, i.e., benzene, cyclooctatetraene, nap…
Designing a mechanically driven spin-crossover molecular switch via organic embedding
Sumanta Bhandary, Jan M. Tomczak, Angelo Valli
Among spin-crossover complexes, Fe-porphyrin (FeP) stands out for molecular spintronic applications: An intricate, yet favourable balance between ligand fields, charge transfer, an…
Role of charge transfer in hybridization-induced spin transition in metal-organic molecules
Jakob Steinbauer, Silke Biermann, Sumanta Bhandary
The spin-crossover in organometallic molecules constitutes one of the most promising routes towards the realization of molecular spintronic devices. In this article, we explore the…
Self-energy self-consistent density functional theory plus dynamical mean field theory
Sumanta Bhandary, Karsten Held
We propose a hybrid approach which employs the dynamical mean-field theory (DMFT) self-energy for the correlated, typically rather localized orbitals and a conventional density fun…
Comparative study of electronic and magnetic properties of Pc ( = Fe, Co) molecules physisorbed on 2D MoS and graphene
Soumyajyoti Haldar, Sumanta Bhandary, Hakkim Vovusha +1
In this paper, we have done a comparative study of electronic and magnetic properties of iron phthalocyanine (FePc) and cobalt phthalocyanine (CoPc) molecules physisorbed on monola…