86 citations · 462 across the 18 of their papers we have counts for
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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…
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…
Correlated electron behavior of metalorganic molecules: insights from density functional theory combined with many-body effects using exact diagonalization
Sumanta Bhandary, Malte Schüler, Patrik Thunström +5
A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply dens…
Fe clusters (Fe, n=1-6) chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment and magnetic anisotropy
Soumyajyoti Haldar, Bhalchandra S. Pujari, Sumanta Bhandary +4
In this work, we have studied the chemical and magnetic interactions of Fe ; n=1-6 clusters with vacancy defects (monovacancy to correlated vacancies with six missing C atoms)…
Iron porphyrin molecules on Cu(001): Influence of adlayers and ligands on the magnetic properties
H. C. Herper, M. Bernien, S. Bhandary +14
The structural and magnetic properties of Fe octaethylporphyrin (OEP) molecules on Cu(001) have been investigated by means of density functional theory (DFT) methods and X-ray abso…
Manipulation and detection of spin state of Iron-Porphyrin by dedicated chemisorption on magnetic substrates
Sumanta Bhandary, Barbara Brena, Pooja M. Panchmatia +3
One of the key factors behind the rapid evolution of molecular spintronics is the efficient realization of spin manipulation of organic molecules with a magnetic center. The spin s…