Specific Response of the Atomic and Electronic Structure of Ta<sub>2</sub>Pd<sub>3</sub>Se<sub>8</sub> and Ta<sub>2</sub>Pt<sub>3</sub>Se<sub>8</sub> Nanoribbons to the Uniaxial Strain
Ekaterina V. Sukhanova, Павел Б. Сорокин
Abstract
The elastic and plastic deformation of Ta2Pd3Se8 and Ta2Pt3Se8 nanoribbons under uniaxial tension was studied. It was found that TPS nanoribbons have high values of critical strain corresponding to the yielding and fracture points. The features of nanoribbons electronic properties in the elastic regime were studied. In particular, it was shown that the band gap can disappear and Dirac Fermions can emerge during the nanoribbons compression. The nanoribbons stretching leads to the direct-to-indirect gap transition accompanied by nonmonotonic band gap width change.
Topics & Concepts
Condensed matter physicsMaterials scienceBand gapDeformation (meteorology)Electronic structureCompression (physics)Electronic band structureStrain (injury)PhysicsComposite materialMedicineInternal medicine2D Materials and ApplicationsTopological Materials and PhenomenaMXene and MAX Phase Materials