Maria Barbara Maccioni

activity

20142026

most citedPhase diagram and polarization of stable phases of (Ga

_{1 - x}

_{x}

)

_{2}

_{3}

165 citations · 209 across the 6 of their papers we have counts for

collaborators

6 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 investigate the magnetic interactions in the octanuclear molecular rings Cr $_{8}$ and V $_{8}$ using density functional theory within a non-collinear framework. By probing magnetic c…

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★ 165 cited

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★ 13 cited

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…

cond-mat.mtrl-sci2014★ 21 cited

Low In solubility and band offsets in the small- $x$ $β$ -Ga $_{2}$ O $_{3}$ /(Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ system

Maria Barbara Maccioni, Francesco Ricci, Vincenzo Fiorentini

Based on first-principles calculations, we show that the maximum reachable concentration $x$ in the (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ alloy in the low- $x$ regime (i.e. In solubility in $…

cond-mat.mtrl-sci2014★ 10 cited

Structure and gap of low- $x$ (Ga $_{1 - x}$ In $_{x}$ ) $_{2}$ O $_{3}$ alloys

M B Maccioni, F Ricci, V Fiorentini

We study the electronic and local structural properties of pure and In-substituted $β$ -Ga $_{2}$ O $_{3}$ using density functional theory (DFT). Our main result is that the structural ene…

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

Low In solubility and band offsets in the small-x β-Ga2​O3​/(Ga1−x​Inx​)2​O3​ system