Search
Now showing items 771-780 of 2111
Machine learning density functional theory for the Hubbard model
(2019)
The solution of complex many-body lattice models can often be found by defining an energy functional of the
relevant density of the problem. For instance, in the case of the Hubbard model the spin-resolved site occupation
is ...
Positive antiphase boundary domain wall magnetoresistance in Fe3O4 (110) heteroepitaxial films
(2011)
We observe a strong crystallographic direction dependence on the low-field magnetoresistance (MR) behavior of the epitaxial Fe3O4 (110) films grown on MgO (110) substrates. The sign of MR is positive when the current and ...
Origin of the p-Type Character of AuCl3 Functionalized Carbon Nanotubes
(2014)
The microscopic origin of the p-type character of AuCl
3
functionalized carbon nanotubes
(CNTs) is investigated using first-principles self-interaction corrected density functional the-
ory (DFT). Recent DFT calculations ...
Polymeric waveguides for use as solid state laser materials
(Trinity College (Dublin, Ireland). School of Physics, 2000)
The work presented is intended to identify promising candidate materials for use as solid state lasers utilising planar optical waveguides, and to gain an insight into the physical processes that may be controlled through ...
Hybrid density functional theory applied to magnetite: Crystal structure, charge order, and phonons
(2009)
The electronic structure and equilibrium structure of magnetite (Fe3O4) in the high temperature cubic Fd3¯m and low temperature monoclinic P2/c unit cells have been computed using the Perdew-Wang generalized gradient ...
The "millipede" - nanotechnology entering data storage
(IEEE, 2002)
Present a new scanning-probe-based data-storage concept called the "millipede" that combines ultrahigh density, terabit capacity, small form factor, and high data rate. Ultrahigh storage density has been demonstrated by a ...
Room-temperature plexcitonic strong coupling: Ultrafast dynamics for quantum applications
(2021)
Strong light-matter interaction is at the heart of modern quantum technological applications and is the basis for a wide range of rich optical phenomena. Coupling a single quantum emitter strongly with electromagnetic ...
Magnetism of wurtzite CoO nanoclusters
(2010)
The possibility that the apparent room-temperature ferromagnetism, often measured in Co-doped ZnO, is
due to uncompensated spins at the surface of wurtzite CoO nanoclusters is investigated by means of a combination
of ...
Structural origins of conductance fluctuations in gold-thiolate molecular transport junctions
(2013)
We report detailed atomistic simulations combined with high-fidelity conductance calculations
to probe the structural origins of conductance fluctuations in thermally evolving Aubenzene-1,4-dithiolate-Au
junctions. We ...