Abstract

This study investigates twisted bismuth bilayers at the edges and in the flake interior using ab initio density functional theory. The authors construct freestanding bilayer flakes from crystalline Bi-I, relax a 290-atom system across many twist angles, analyze structural disorder and local bonding motifs, compute electronic density of states, and assess vibrational stability. They report a strong enhancement of the electronic density of states at the Fermi level near the flake edges, with implications for increased superconducting critical temperature.

Abstract

This study investigates twisted bismuth bilayers at the edges and in the flake interior using ab initio density functional theory. The authors construct freestanding bilayer flakes from crystalline Bi-I, relax a 290-atom system across many twist angles, analyze structural disorder and local bonding motifs, compute electronic density of states, and assess vibrational stability. They report a strong enhancement of the electronic density of states at the Fermi level near the flake edges, with implications for increased superconducting critical temperature.

Abstract

This study investigates twisted bismuth bilayers at the edges and in the flake interior using ab initio density functional theory. The authors construct freestanding bilayer flakes from crystalline Bi-I, relax a 290-atom system across many twist angles, analyze structural disorder and local bonding motifs, compute electronic density of states, and assess vibrational stability. They report a strong enhancement of the electronic density of states at the Fermi level near the flake edges, with implications for increased superconducting critical temperature.

Abstract

This study investigates twisted bismuth bilayers at the edges and in the flake interior using ab initio density functional theory. The authors construct freestanding bilayer flakes from crystalline Bi-I, relax a 290-atom system across many twist angles, analyze structural disorder and local bonding motifs, compute electronic density of states, and assess vibrational stability. They report a strong enhancement of the electronic density of states at the Fermi level near the flake edges, with implications for increased superconducting critical temperature.