4,038 research outputs found
Possible pairing symmetries in SrPtAs with a local lack of inversion center
We discuss possible pairing symmetries in the hexagonal pnictide
superconductor SrPtAs. The local lack of inversion symmetry of the two distinct
conducting layers in the unit cell results in a special spin-orbit coupling
with a staggered structure. We classify the pairing symmetry by the global
crystal point group D_3d, and suggest some candidates for the stable state
using a tight-binding model with an in-plane, density-density type pairing
interaction. We may have some unconventional states like s+f-wave and a mixture
of chiral d-wave and chiral p-wave. The spin orbit coupling is larger than the
interlayer hopping, and the mixing between spin-singlet and triplet states can
be seen in spite of the fact that the system has a global inversion center.Comment: 5 pages, 3 figure
Efficient Learning of a One-dimensional Density Functional Theory
Density functional theory underlies the most successful and widely used
numerical methods for electronic structure prediction of solids. However, it
has the fundamental shortcoming that the universal density functional is
unknown. In addition, the computational result---energy and charge density
distribution of the ground state---is useful for electronic properties of
solids mostly when reduced to a band structure interpretation based on the
Kohn-Sham approach. Here, we demonstrate how machine learning algorithms can
help to free density functional theory from these limitations. We study a
theory of spinless fermions on a one-dimensional lattice. The density
functional is implicitly represented by a neural network, which predicts,
besides the ground-state energy and density distribution, density-density
correlation functions. At no point do we require a band structure
interpretation. The training data, obtained via exact diagonalization, feeds
into a learning scheme inspired by active learning, which minimizes the
computational costs for data generation. We show that the network results are
of high quantitative accuracy and, despite learning on random potentials,
capture both symmetry-breaking and topological phase transitions correctly.Comment: 5 pages, 3 figures; 4+ pages appendi
Creating better superconductors by periodic nanopatterning
The quest to create superconductors with higher transition temperatures is as
old as superconductivity itself. One strategy, popular after the realization
that (conventional) superconductivity is mediated by phonons, is to chemically
combine different elements within the crystalline unit cell to maximize the
electron-phonon coupling. This led to the discovery of NbTi and Nb3Sn, to name
just the most technologically relevant examples. Here, we propose a radically
different approach to transform a `pristine' material into a better (meta-)
superconductor by making use of modern fabrication techniques: designing and
engineering the electronic properties of thin films via periodic patterning on
the nanoscale. We present a model calculation to explore the key effects of
different supercells that could be fabricated using nanofabrication or
deliberate lattice mismatch, and demonstrate that specific pattern will enhance
the coupling and the transition temperature. We also discuss how numerical
methods could predict the correct design parameters to improve
superconductivity in materials including Al, NbTi, and MgB
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