Determination of low-strain interfaces via geometric matching

Abstract

We present a general method for combining two crystals into an interface. The method finds all possible interfaces between the crystals with small coincidence cells and identifies the strain and area of the corresponding two-dimensional cells of the two crystal surfaces. We apply the method to the two semiconductor alloys InAs 1−x Sb x and Ga x In 1−x As combined with a selection of pure metals or with NbTiN to create semiconductor/superconductor interfaces. The lattice constant of the alloy can be tuned by composition and we can extract the alloy lattice parameters corresponding to zero strain in both the metal and the alloy. The results can be used to suggest new epitaxially matched interfaces between two materials.

Interface structure prediction via CALYPSO method

“…Thus, a commensurate lattice is key for the prediction of the stable interface structure. However, finding a coincident superlattice manually is extremely complicated because of the tremendous possible combinations between the superlattices of the two bulks [30][31][32][33]. Here, we present a general and robust scheme to automatically search for the coincident superlattices for given crystallographic unit cells of two materials.…”

Superconducting vanadium/indium-arsenide hybrid nanowires

“…However, there are no prior reports of in-situ integration of III-V nanowire and vanadium thin film growth under UHV conditions and no structural analysis has been reported. Structurally, it is expected that the lattices of vanadium and InAs can match in certain orientations [10,24], which motivated the current study. One potential challenge we expected was that obtaining monocrystalline growth of vanadium on sapphire by e-beam deposition requires substrate temperatures exceeding 460 • C [25].…”

Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface

“…The twisted bilayers were calculated using the Generalized Lattice Match (GLM) method [25], which is for calculating the relationship between number of atoms and mismatch strain. We generate the optimized twisting angles by selecting the smaller number of atoms and the mismatch strain.…”