5 papers · 1 filter
Atomic short-range order control of GeSn as a new degree of freedom for band engineering
Shang Liu, Yunfan Liang, Nirosh M. Eldose +18
Chemical short-range order (SRO) refers to preference or avoidance between neighboring atomic species, which significantly impacts the properties of advanced alloys. However, quant…
Uncovering the Fourier Structure of Wavefunctions in Semiconductors
Yunfan Liang, Damien West, Shengbai Zhang
Symmetry is at the heart of material properties. Symmetry of the Bravais lattice defines the degeneracy of planewaves, upon which atomic symmetry determines interaction potentials…
Semiconductor-compatible topological digital alloys
Yunfan Liang, Damien West, Shunda Chen +3
Recently, GeSn alloys have attracted much interest for direct-gap infrared photonics and as potential topological materials which are compatible with the semiconductor industry. Ho…
Bond Dipole based Geometric Theory of Band Alignment
Zeyu Jiang, Damien West, Shengbai Zhang
The band alignment (BA) between two materials is a fundamental property that governs the functionality and performance of electronic, as well as electrochemical, devices. However,…
Revisiting the Formulation of Charged Defect in Solids
Hanzhi Shang, Zeyu Jiang, Yiyang Sun +2
Defect physics is at the heart of microelectronics. By keeping track of the reference energy in total energy calculations, we explicitly show that the "potential alignment" correct…