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20092026
most citedAssessment of density functional theory for iron(II) molecules across the spin-crossover transition

125 citations · 236 across the 13 of their papers we have counts for

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cond-mat.mtrl-sci2026

Charge and spin photogalvanic effects in the p-wave magnet NiI2

Giuseppe Cuono, Srdjan Stavric, Javier Sivianes Castano +4

NiI2 is an exotic van der Waals material in which a noncollinear spin spiral breaks spatial inversion symmetry without sizeable structural distortion, generating improper ferroelec…

cond-mat.mtrl-sci2025

Spin-dependent transport in FeGaTe and FeGeTe (=3-5) van der Waals ferromagnets for magnetic tunnel junctions

Anita Halder, Declan Nell, Akash Bajaj +2

We present a systematic first-principles investigation of linear-response spin-dependent quantum transport in the van der Waals ferromagnets FeGeTe, FeGeTe, FeG…

cond-mat.mtrl-sci2025

Collapse of the standard ferromagnetic domain structure in hybrid Co/Molecule bilayers

Mattia Benini, Andrei Shumilin, Rajib Kumar Rakshit +16

We show that, upon the chemisorption of organic molecules, Co thin films display a number of unique magnetic properties, including the giant magnetic hardening and the violation of…

cond-mat.mtrl-sci2024

Half-metallic transport and spin-polarized tunneling through the van der Waals ferromagnet FeGeTe

Anita Halder, Declan Nell, Antik Sihi +3

The recent emergence of van der Waals (vdW) ferromagnets has opened new opportunities for designing spintronic devices. We theoretically investigate the coherent spin-dependent tra…

cond-mat.mtrl-sci2024

Radical-Induced Changes in Transition Metal Interfacial Magnetic Properties: A Blatter Derivative on Polycrystalline Cobalt

Ewa Malgorzata Nowik-Boltyk, Tobias Junghoefer, Erika Giangrisostomi +5

In this work, we study the cobalt radical interface obtained by depositing a monolayer of a derivative of the Blatter radical on polycrystalline cobalt. By examining the occupied a…

cond-mat.mtrl-sci2012★ 125 cited

Assessment of density functional theory for iron(II) molecules across the spin-crossover transition

A. Droghetti, D. Alfè, S. Sanvito

Octahedral Fe molecules are particularly interesting as they often exhibit a spin-crossover transition. In spite of the many efforts aimed at assessing the performances of d…

cond-mat.mtrl-sci2009★ 29 cited

MgN: a new promising material for spintronic applications

A. Droghetti, N. Baadji, S. Sanvito

Density functional theory calculations demonstrate that rocksalt MgN is a magnetic material at the verge of half-metallicity, with an electronic structure robust against strong cor…