Anisotropic strain in SmSe and SmTe: implications for electronic transport

TL;DR

This study uses first-principles calculations to analyze how uniaxial strain affects the electronic transport and piezoresistive properties of SmSe and SmTe, revealing strain-induced band gap reduction and enhanced piezoresistive response.

Contribution

It provides a detailed first-principles analysis of strain effects on electronic structure and transport in SmSe and SmTe, highlighting the importance of uniaxial strain in optimizing piezoresistive behavior.

Findings

Piezoresistive response is mainly governed by band gap reduction under strain.

Uniaxial strain can significantly enhance the piezoresistive effect compared to isotropic strain.

Conduction in thin films remains dominated by thermal electron promotion, with tunneling length around 1 nm.

Abstract

Mixed valence rare-earth samarium compounds SmX (X=Se,Te) have been recently proposed as candidate materials for use in high-speed, low-power digital switches driven by stress induced changes of resistivity. At room temperature these materials exhibit a pressure driven insulator-to-metal transition with resistivity decreasing by up to 7 orders of magnitude over a small pressure range. Thus, the application of only a few GPa's to the piezoresistor (SmX) allows the switching device to perform complex logic. Here we study from first principles the electronic properties of these compounds under uniaxial strain and discuss the consequences on carrier transport. The changes in the band structure show that the piezoresistive response is mostly governed by the reduction of band gap with strain. Furthermore, it becomes optimal when the Fermi level is pinned near the localized valence band. The piezoresistive effect under uniaxial strain which must be taken into account in thin films and other systems with reduced dimensionality is also quantified. Under uniaxial strain we find that the piezoresistive response can be substantially larger than in the isotropic case. Analysis of complex band structure of SmSe yields a tunneling length of the order of 1 nm. The results suggest that the conduction mechanism governing the piezoresistive effect in bulk, i.e.~thermal promotion of electrons, should still be dominant in few-nanometer-thick films.