Abstracts Book - IMRC 2018

• SF2-P039
NANOWIRE/NANOLAYER HETEROSTRUCTURES: ELECTRONIC
AND MAGNETIC PROPERTIES
Jose Miguel Cervantes Cervantes 1 , Dora Patricia Fernández Jiménez 1 , Raúl Oviedo Roa 2 , Eliel
Carvajal Quiroz 1 , Miguel Cruz Irrison 1
1 Instituto Politécnico Nacional - IPN, ESIME Culhuacan, Mexico. 2 Instituto Mexicano del
Petróleo, Programa en Investigación en Ingeniería Molecular, Mexico.
Studies on nanostructured materials are relevant because 1D and 2D systems
could be very useful for modulation and control of many different physical
properties of interest for engineering application development: efficient
electronic transport in electrodes for electrochemical systems, half metallicity to
design spintronic devices or gas sensors, among others. An example is LaTiO 3 , a
Mott insulator with antiferromagnetic order, for which the magnetic order can
be modified by confinement in nanostructures, generating novel magnetic
properties for this perovskite. On the other hand, Si and Ge nanowires are
semiconductor materials that, could exhibit magnetism if there are dangling
bonds at their surfaces, because the associated electrons will be unpaired. For
this work, we studied theoretically the electronic and magnetic properties
shown by Si and Ge nanowires, partially passivated with H and grown along the
[001] and [111] crystalline directions, with different diameters. Those nanowires
were deposited on a LaTiO 3 perovskite nanolayer, which free surface is parallel
to the (001) plane. The bonding nature at the nanowire/nanolayer interface was
identified; also, the structural stability of both, nanowire and nanolayer in the
coupled system, was studied. All calculations were made in the Density
Functional Theory scheme. Results are the evidence of a strong interaction
between the Si or Ge nanowires atoms and O atoms at the perovskite nanolayer,
which generates tension on the nanowires for each system. The energy gap
magnitude changes system to system, depending on the contact between
nanowires and nanolayer, increasing as a function of the nanowires diameter.
Acknowledgment:
Support project IPN-SIP-2018-1937. J.M. Cervantes and D.P. Fernández
acknowledge the scholarship CONACYT and support BEIFI.
Keywords: Heterostructures, Perovskite nanolayer, Si and Ge nanowires
Presenting authors email: josemiguel.cervantes.gin2013@gmail.com