Border effect in the Cr<sub>2</sub>Ge<sub>2</sub>Te<sub>6</sub> nanoribbons: a stability study through Density Functional Theory

POSTER

Abstract

The Cr2Ge2Te6 compound is an intrinsic ferromagnetic material with a van der Waals layered structure that shows great promise in spintronic applications. In this work, we investigated the edge effect in the formation of Cr2Ge2Te6 nanoribbons with different edges as well as the change in electronic and magnetic properties, by spin-polarized calculations. We study the thermodynamic stability of the nanoribbon employing the surface formation energy formalism. According to the calculations, at Ge- and Te-poor conditions and Ge-poor Te-rich conditions, the nanoribbon terminated in Te-Cr is the most stable structure, also, at the limits Te- and Ge-rich conditions and Ge-rich Te-poor conditions, the most stable structure corresponds to a combination of Cr-Te and Te-Ge edges.

*We thank DGAPA-UNAM projects IN110820, IG200320, and IA100920. Calculations performed in DGCTIC-UNAM Supercomputing Center (LANCAD-UNAM-DGTIC-150 and LANCAD-UNAM-DGTIC-368).

Presenters

  • Valeria Ríos Vargas

    • Center for Nanosciences and Nanotechnology National Autonomous University of Mexico

Authors

  • Valeria Ríos Vargas

    • Center for Nanosciences and Nanotechnology National Autonomous University of Mexico

  • Rodrigo Ponce

    • Centro de Nanociencias y Nanotecnologia, UNAM
    • Instituto de Fisica, Benemerita Universidad Autonoma de Puebla
    • National Autonomous University of Mexico
    • Center for Nanosciences and Nanotechnology National Autonomous University of Mexico

  • María Guadalupe Moreno Armenta

    • Centro de Nanociencias y Nanotecnologia, UNAM
    • Center for Nanosciences and Nanotechnology National Autonomous University of Mexico

  • Jonathan Guerrero Sanchez

    • Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México
    • Center of Nanoscience and Nanotechology, National Autonomous University of Mexico
    • National Autonomous University of Mexico Institute of Nanoscience and Nanotechnology
    • Centro de Nanociencias y Nanotecnologia, UNAM
    • Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico
    • Universidad Nacional Autónoma de México
    • UNAM - CCMC
    • Center for Nanosciences and Nanotechnology National Autonomous University of Mexico