40 research outputs found
Suppressed Magnetization at the Surfaces and Interfaces of Ferromagnetic Metallic Manganites
What happens to ferromagnetism at the surfaces and interfaces of manganites?
With the competition between charge, spin, and orbital degrees of freedom, it
is not surprising that the surface behavior may be profoundly different than
that of the bulk. Using a powerful combination of two surface probes, tunneling
and polarized x-ray interactions, this paper reviews our work on the nature of
the electronic and magnetic states at manganite surfaces and interfaces. The
general observation is that ferromagnetism is not the lowest energy state at
the surface or interface, which results in a suppression or even loss of
ferromagnetic order at the surface. Two cases will be discussed ranging from
the surface of the quasi-2D bilayer manganite
(LaSrMnO) to the 3D Perovskite
(LaSrMnO)/SrTiO interface. For the bilayer manganite,
that is, ferromagnetic and conducting in the bulk, these probes present clear
evidence for an intrinsic insulating non-ferromagnetic surface layer atop
adjacent subsurface layers that display the full bulk magnetization. This
abrupt intrinsic magnetic interface is attributed to the weak inter-bilayer
coupling native to these quasi-two-dimensional materials. This is in marked
contrast to the non-layered manganite system
(LaSrMnO/SrTiO), whose magnetization near the interface
is less than half the bulk value at low temperatures and decreases with
increasing temperature at a faster rate than the bulk.Comment: 15 pages, 13 figure
Maximally localized Wannier functions in LaMnO3 within PBE+U, hybrid functionals, and partially self-consistent GW: an efficient route to construct ab-initio tight-binding parameters for e_g perovskites
Using the newly developed VASP2WANNIER90 interface we have constructed
maximally localized Wannier functions (MLWFs) for the e_g states of the
prototypical Jahn-Teller magnetic perovskite LaMnO3 at different levels of
approximation for the exchange-correlation kernel. These include conventional
density functional theory (DFT) with and without additional on-site Hubbard U
term, hybrid-DFT, and partially self-consistent GW. By suitably mapping the
MLWFs onto an effective e_g tight-binding (TB) Hamiltonian we have computed a
complete set of TB parameters which should serve as guidance for more elaborate
treatments of correlation effects in effective Hamiltonian-based approaches.
The method-dependent changes of the calculated TB parameters and their
interplay with the electron-electron (el-el) interaction term are discussed and
interpreted. We discuss two alternative model parameterizations: one in which
the effects of the el-el interaction are implicitly incorporated in the
otherwise "noninteracting" TB parameters, and a second where we include an
explicit mean-field el-el interaction term in the TB Hamiltonian. Both models
yield a set of tabulated TB parameters which provide the band dispersion in
excellent agreement with the underlying ab initio and MLWF bands.Comment: 30 pages, 7 figure
Appearance of "fragile" fermi liquids in finite-width mott insulators sandwiched between metallic leads
Using inhomogeneous dynamical mean-field theory, we show that the normal-metal proximity effect could force any finite number of Mott-insulating "barrier" planes sandwiched between semi-infinite metallic leads to become "fragile" Fermi liquids. They are fully Fermi-liquid-like at T=0, leading to a restoration of lattice periodicity at zero frequency, with a well-defined Fermi surface, and perfect (ballistic) conductivity. However, the Fermi-liquid character can rapidly disappear at finite ω, V, T, disorder, or magnetism, all of which restore the expected quantum tunneling regime, leading to fascinating possibilities for nonlinear response in devices
Appearance of "Fragile" Fermi Liquids in Finite-Width Mott Insulators Sandwiched between Metallic Leads
Using inhomogeneous dynamical mean-field theory, we show that the normal-metal proximity effect could force any finite number of Mott-insulating "barrier" planes sandwiched between semi-infinite metallic leads to become "fragile" Fermi liquids. They are fully Fermi-liquid-like at T=0, leading to a restoration of lattice periodicity at zero frequency, with a well-defined Fermi surface, and perfect (ballistic) conductivity. However, the Fermi-liquid character can rapidly disappear at finite omega, V, T, disorder, or magnetism, all of which restore the expected quantum tunneling regime, leading to fascinating possibilities for nonlinear response in devices
Numerical application of generalized monotone method for population models
This paper provides a methodology to compute coupled upper and lower solutions. We will use mathematical modeling to examine population growth and decay of a single and dual animal species, of a nonlinear differential equations with initial conditions to compute solutions. In this work we provide a methodology to compute coupled lower and upper solutions on any given interval. We develop Accelerated convergence results using generalized monotone method. We have both theoretical and numerical results. © Dynamic Publishers, Inc