Maria Barbara Maccioni

activity

20152026

collaborators

4 papers

cond-mat.mtrl-sci2026

Magnetic interactions and spin orders in Cr $_{8}$ and V $_{8}$ ring-shaped molecular magnets from non-collinear ab initio calculations

Maria Barbara Maccioni, Elia Stocco, Luca Binci +2

We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr $_{8}$ and V $_{8}$ . Our aim is to gener…

cond-mat.mtrl-sci2025

Magnetic properties of Cr $_{8}$ and V $_{8}$ molecular rings from ab initio calculations

Elia Stocco, Maria Barbara Maccioni, Andrea Floris +1

Molecular nanomagnets are systems with a vast phenomenology and are very promising for a variety of technological applications, most notably spintronics and quantum information. Th…

cond-mat.mtrl-sci2015

Phase diagram and polarization of stable phases of (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$

Maria Barbara Maccioni, Vincenzo Fiorentini

Using density-functional ab initio calculations, we provide a revised phase diagram of (Ga $_{1 - x}$ In $_{x})_{2}$ O $_{3}$ . Three phases --monoclinic, hexagonal, cubic bixbyite-- compete f…

cond-mat.mtrl-sci2015

Properties of (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ over the whole $x$ range

Maria Barbara Maccioni, Francesco Ricci, Vincenzo Fiorentini

Using density-functional ab initio theoretical techniques, we study (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ in both its equilibrium structures (monoclinic $β$ and bixbyite) and over the whole…

Magnetic interactions and spin orders in Cr8​ and V8​ ring-shaped molecular magnets from non-collinear ab initio calculations

Magnetic properties of Cr8​ and V8​ molecular rings from ab initio calculations

Phase diagram and polarization of stable phases of (Ga1−x​Inx​)2​O3​

Properties of (Ga1−x​Inx​)2​O3​ over the whole x range

Magnetic interactions and spin orders in Cr $_{8}$ and V $_{8}$ ring-shaped molecular magnets from non-collinear ab initio calculations

Magnetic properties of Cr $_{8}$ and V $_{8}$ molecular rings from ab initio calculations

Phase diagram and polarization of stable phases of (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$

Properties of (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ over the whole $x$ range