APS March Meeting 2017
Volume 62, Number 4
Monday–Friday, March 13–17, 2017;
New Orleans, Louisiana
Session Y21: Emergent Magnetism at Oxide Interfaces
11:15 AM–2:15 PM,
Friday, March 17, 2017
Room: 281-282
Sponsoring
Unit:
GMAG
Chair: Steve May, Drexel University
Abstract ID: BAPS.2017.MAR.Y21.4
Abstract: Y21.00004 : Magnetism, spin-lattice-orbital coupling and exchange-correlation energy in oxide heterostructures: Nickelate, titanate, and ruthenate*
1:03 PM–1:39 PM
Preview Abstract
Abstract
Author:
Myung-Joon Han
(Department of Physics, KAIST)
Many interesting physical phenomena and material characteristics in
transition-metal oxides (TMO) come out of the intriguing interplay between
charge, spin, orbital, and lattice degrees of freedom. In the thin film
and/or heterointerface form of TMO, this feature can be controlled and thus
be utilized. Simultaneously, however, its detailed characteristic is more
difficult to be identified experimentally. For this reason, the
first-principles-based approach has been playing an important role in this
field of research. In this talk, I will try to give an overview of current
status of first-principles methodologies especially for the magnetism in the
correlated oxide heterostructures or thin films. Nickelate, titanate, and
ruthenate will be taken as representative examples to demonstrate the
powerfulness of and the challenges to the current methodologies On the one
hand, first-principles calculation provides the useful information,
understanding and prediction which can hardly be obtained from other
theoretical and experimental techniques. Nickelate-manganite superlattices
(LaNiO$_{\mathrm{3}}$/LaMnO$_{\mathrm{3}}$ and
LaNiO$_{\mathrm{3}}$/CaMnO$_{\mathrm{3}})$ are taken as examples. In this
interface, the charge transfer can induce the ferromagnetism and it can be
controlled by changing the stacking sequence and number of layers. The
exchange-correlation (XC) functional dependence seems to give only
quantitatively different answers in this case. On the other hand, for the
other issues such as orbital polarization/order coupled with spin order, the
limitation of current methodology can be critical. This point will be
discussed with the case of tatinate superlattice
(LaTiO$_{\mathrm{3}}$/LaAlO$_{\mathrm{3}})$. For ruthenates
(SrRuO$_{\mathrm{3\thinspace }}$and Sr$_{\mathrm{2}}$RuO$_{\mathrm{4}})$, we
found that the probably more fundamental issue could be involved. The
unusually strong dependence on the XC functional parametrization is found to
give a qualitatively different conclusion for the experimentally relevant
parameter regions.
*This work was supported by National Research Foundation of Korea (2014R1A1A2057202)
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2017.MAR.Y21.4