27 citations · 101 across the 15 of their papers we have counts for
16 papers · 1 filter
Small atoms fall into bulk from non-close-packed surfaces?
Shota Ono, Honoka Satomi, Junji Yuhara
Surface rippling has been observed when atoms of and are mixed on the substrate surface. The rippling amplitude has been estimated using hard sphere models. We present…
Finding the stable structures of 2D hexagonal materials with Bayesian optimization: Beyond the structural relationship with 3D crystals in weakly-bonded binary systems
Shota Ono
The graphene-graphite relationship in structural geometry is a basic principle to predict novel two-dimensional (2D) materials. Here, we demonstrate that this is not the case in bi…
Stability of B2 compounds: Role of the point phonons
Shota Ono, Daigo Kobayashi
Although many binary compounds have the B2 (CsCl-type) structure in the thermodynamic phase diagram, an origin of the structural stability is not understood well. Here, we focus on…
Hypothetical FrAu: An outlier in the B2 compounds
Shota Ono
The ordered alloys of alkali metals (Rb and Cs) and gold (Au) have the B2 (CsCl-type) structure and show a semiconducting property, irrespective to the metallic constituents. Franc…
Comprehensive search for buckled honeycomb binary compounds based on noble metals (Cu, Ag, and Au)
Shota Ono
Honeycomb structure has been frequently observed in two-dimensional (2D) materials. CuAu in the buckled honeycomb (BHC) structure has been synthesized recently, which is the first…
Simple prediction of immiscible metal alloying based on metastability analysis
Shota Ono, Junji Yuhara, Jun Onoe
It has been known that even though two elemental metals, and , are immiscible, they can form alloys on surfaces of other metal . In order to understand such surface alloy…