Frontiers in Physics,
Journal Year:
2022,
Volume and Issue:
10
Published: Feb. 21, 2022
We
study
the
magnetic
and
spectral
properties
of
a
single-band
Hubbard
model
for
infinite-layer
nickelate
compound
LaNiO$_2$.
As
spatial
correlations
turn
out
to
be
key
ingredient
understanding
its
physics,
we
use
two
complementary
extensions
dynamical
mean-field
theory
take
them
into
account:
cellular
vertex
approximation.
Additionally
systematic
analysis
doping
dependence
non-Curie-Weiss
behavior
uniform
susceptibility,
provide
insight
relation
formation
pseudogap
regime
by
calculation
one-particle
function
correlation
length.
The
latter
is
order
few
lattice
spacings
when
opens,
indicating
strong-coupling
in
analogy
cuprates.
Advanced Materials,
Journal Year:
2023,
Volume and Issue:
35(32)
Published: May 26, 2023
After
being
expected
as
a
promising
analogue
to
cuprates
for
decades,
superconductivity
was
recently
discovered
in
infinite-layer
nickelates,
providing
new
opportunities
explore
mechanisms
of
high-temperature
superconductivity.
However,
sharp
contrast
the
single-band
quasi-two-dimensional
cuprates,
nickelates
exhibit
multi-band
electronic
structure
and
an
unexpected
isotropic
reported
recently,
which
challenges
cuprate-like
picture
nickelates.
Here,
we
show
is
actually
anisotropic
nature,
that
cuprates.
By
synthesizing
high-quality
lanthanide
nickelate
films
with
enhanced
crystallinity
($T_{c}^{onset}$
=
18.8
K,
$T_{c}^{zero}$
16.5
K),
strong
magnetotransport
behaviors
have
been
observed.
The
nature
further
confirmed
by
existence
cusp-like
peak
angle-dependent
$T_{c}$,
Berezinskii-Kosterlitz-Thouless
transition
near
$T_{c}$.
Our
work
thus
suggests
implying
single-3$d_{x^2-y^2}$-band
may
remain
valid
these
compounds.
Advanced Materials,
Journal Year:
2024,
Volume and Issue:
36(31)
Published: June 7, 2024
Abstract
The
observation
of
superconductivity
in
infinite‐layer
nickelates
has
attracted
significant
attention
due
to
its
potential
as
a
new
platform
for
exploring
high‐
T
c
superconductivity.
However,
thus
far,
only
been
observed
epitaxial
thin
films,
which
limits
the
manipulation
capabilities
and
modulation
methods
compared
two‐dimensional
exfoliated
materials.
Given
exceptionally
giant
strain
tunability
stacking
capability
freestanding
membranes,
separating
superconducting
from
as‐grown
substrate
is
novel
way
engineer
uncover
underlying
physics.
Herein,
this
work
reports
synthesis
La
0.8
Sr
0.2
NiO
2
membranes
(),
emphasizing
crucial
roles
interface
engineering
precursor
phase
film
growth
quick
transfer
process
achieving
This
offers
versatile
investigating
nickelates,
such
pairing
symmetry
via
constructing
Josephson
tunneling
junctions
higher
values
high‐pressure
experiments.
It
has
been
recently
shown
that
under
pressure
trilayer
Ruddlesden-Popper
nickelate
${\mathrm{La}}_{4}{\mathrm{Ni}}_{3}{\mathrm{O}}_{10}$
(LNO)
becomes
superconducting
below
a
critical
temperature
$\ensuremath{\approx}20$
K,
in
addition
to
the
infinite-layer
and
bilayer
systems.
Motivated
by
this
observation,
we
explore
effects
of
electron
correlations
on
its
electronic
structure
magnetic
properties
using
advanced
density
functional
theory
plus
dynamical
mean-field
approach.
Our
results
for
normal-state
correlation
LNO
show
much
common
with
nickelates,
remarkable
site-
orbital-dependent
renormalizations
Ni
$3d$
bands
notable
incoherence
${d}_{3{z}^{2}\ensuremath{-}{r}^{2}}$
states,
caused
effects.
analysis
Fermi
surface
suggests
emergence
competing
spin
charge
stripe
implying
importance
in-plane
fluctuations
explain
superconductivity
material.
${\mathrm{La}}_{3}{\mathrm{Ni}}_{2}{\mathrm{O}}_{7}$
has
garnered
widespread
interest
recently
due
to
its
high-temperature
superconductivity
under
pressure,
accompanied
by
charge
density
wave
(CDW)
ordering
and
metal-insulator
(MI)
transitions
in
the
phase
diagram.
Here,
we
explore
nature
of
CDW
MI
using
comprehensive
first-principles
calculations.
Our
findings
reveal
that
possesses
an
antiferromagnetic
ground
state
both
low
high
pressures,
with
strong
Fermi
surface
nesting
contributed
flat
band
leads
phonon
softening
electronic
instabilities.
Accordingly,
several
stable
orders
oxygen
octahedral
distortions
are
identified.
In
presence
apical
vacancies,
identify
two
different
phases
exhibiting
similar
phases,
their
competition
can
lead
a
pressure-induced
transition.
The
estimated
transition
temperature
pressure
agree
nicely
experiments.
addition,
find
electron-phonon
coupling
is
too
weak
contribute
superconductivity.
These
results
suggest
unconventional
superconducting
pairing
mechanism
mediated
fluctuations.
Finally,
present
diagram
consistent
experimental
results.
offer
crucial
insights
into
interplay
superconductivity,
CDW,
role
vacancies
pressurized
${\mathrm{La}}_{3}{\mathrm{Ni}}_{2}{\mathrm{O}}_{7}$.
Physical Review Letters,
Journal Year:
2024,
Volume and Issue:
133(6)
Published: Aug. 8, 2024
Topotactic
reduction
utilizing
metal
hydrides
as
reagents
has
emerged
an
effective
approach
to
achieve
exceptionally
low
oxidization
states
of
ions
and
unconventional
coordination
networks.
This
method
opens
avenues
the
development
entirely
new
functional
materials,
with
one
notable
example
being
infinite-layer
nickelate
superconductors.
However,
effect
on
atomic
reconstruction
electronic
structures-crucial
for
superconductivity-remains
largely
unresolved.
We
designed
two
sets
control
Nd_{0.8}Sr_{0.2}NiO_{2}
thin
films
used
secondary
ion
mass
spectroscopy
highlight
absence
reduction-induced
hydrogen
intercalation.
X-ray
absorption
revealed
a
significant
linear
dichroism
dominant
Ni
3d_{x2-y2}
orbitals
superconducting
samples,
indicating
single-band
nature
nickelates.
Consistent
T_{c},
3d
asymmetry
manifests
domelike
dependence
duration.
Our
results
unveil
critical
role
in
modulating
Ni-3d
orbital
polarization
its
impact
properties.
Science Advances,
Journal Year:
2025,
Volume and Issue:
11(1)
Published: Jan. 1, 2025
We
report
the
appearance
of
superconductivity
in
single-unit-cell
Nd
6
Ni
5
O
12
,
exhibiting
a
transition
temperature
similar
to
that
thicker
films.
In
situ
synchrotron
x-ray
scattering
performed
during
growth
parent
phase,
16
shows
necessary
layer-by-layer
deposition
sequence
does
not
follow
formula
unit
but
an
alternate
order
due
relative
stability
perovskite
cell.
exploit
this
insight
grow
ultrathin
heterostructures
and
conduct
studies
topotactic
reduction,
finding
formation
square-planar
phase
occurs
rapidly
is
highly
sensitive
reduction
temperature,
with
small
deviations
from
optimum
condition
leading
inhomogeneity
loss
superconductivity.
The
fluorite
layer
within
cell
facilitates
by
initially
stabilizing
upper
half
Our
findings
provide
into
Ruddlesden-Popper
nickelates,
highlighting
need
for
metastable
phases
key
Physical Review Materials,
Journal Year:
2023,
Volume and Issue:
7(1)
Published: Jan. 30, 2023
Infinite-layer
(IL)
nickelates
are
an
emerging
family
of
superconductors
whose
similarities
and
differences
to
cuprate
under
intense
debate.
To
date,
the
IL
phase
can
only
be
reached
via
topotactic
oxygen
reduction
perovskite
phase,
using
H$_2$
gas
or
reducing
agents
such
as
CaH$_2$.
While
method
has
been
widely
employed
on
thin
film
polycrystalline
powder
samples,
La$_{1-x}$Ca$_x$NiO$_3$
single-crystals
with
lateral
dimensions
up
150
$\mu$m
was
achieved
recently,
indirect
contact
Here
we
report
transformation
much
larger
LaNiO$_3$
crystals
more
than
one
millimeter,
direct
We
characterize
crystalline,
magnetic,
electronic
properties
obtained
LaNiO$_{2}$
by
single-crystal
x-ray
diffraction
(XRD),
magnetometry,
electrical
transport,
photoelectron
spectroscopy
(XPS)
measurements.
The
amount
incorporated
hydrogen
due
process
is
determined
a
extraction
method.
In
addition,
investigate
evolution
lattice
parameters
hydrostatic
pressure
12
GPa,
high-resolution
synchrotron
XRD.
Furthermore,
provide
comparison
several
physical
their
counterparts.
arXiv (Cornell University),
Journal Year:
2023,
Volume and Issue:
unknown
Published: Jan. 1, 2023
Motivated
by
the
recently
reported
high-temperature
superconductivity
in
bilayer
La$_3$Ni$_2$O$_7$
(LNO)
under
pressure,
here
we
comprehensively
study
this
system
using
{\it
ab
initio}
techniques.
The
Ni
$3d$
orbitals
have
a
large
bandwidth
at
ambient
increasing
$\sim
22\%$
29.5
Gpa.
Without
electronic
interactions,
$d_{3z^2-r^2}$
form
bonding-antibonding
molecular
orbital
state
via
O
$p_z$
inducing
``dimer''
lattice
LNO
bilayers.
Fermi
surface
consists
of
two-electron
sheets
with
mixed
$e_g$
and
hole
pocket
defined
orbital,
suggesting
two-orbital
minimum
model.
Different
from
infinite-layer
nickelate,
obtained
interorbital}
hopping
between
$d_{x^2-y^2}$
states
LNO,
caused
ligand
``bridge''
in-plane
$p_x$
or
$p_y$
connecting
those
two
orbitals,
$d-p$
$\sigma$-bonding
characteristics.
competition
intraorbital
interorbital
hoppings
leads
to
an
interesting
dominant
spin
stripe
($\pi$,
0)
order
because
bond
ferromagnetic
tendencies
discussed
``half-empty''
mechanism.
Nature Communications,
Journal Year:
2024,
Volume and Issue:
15(1)
Published: June 14, 2024
Abstract
The
recent
discovery
of
superconductivity
in
infinite-layer
nickelate
films
has
sparked
significant
interest
and
expanded
the
realm
superconductors,
which
structure
proper
chemical
doping
are
both
essence.
Nonetheless,
reasons
for
absence
bulk
nickelates
remain
puzzling.
Herein,
we
investigate
atomic
defects
electronic
structures
Nd
0.8
Sr
0.2
NiO
2
using
scanning
transmission
electron
microscopy.
Our
observations
reveal
presence
three-dimensional
(3D)
block-like
structural
domains
resulting
from
intersecting
defect
structures,
disrupting
continuity
within
crystal
grains,
could
be
a
crucial
factor
giving
rise
to
insulating
character
inhibiting
emergence
superconductivity.
Moreover,
structure,
without
complete
topotactic
reduction,
retains
interstitial
oxygen
atoms
on
plane
nickelates,
possibly
further
aggravating
local
distortions
planes
hindering
These
findings
shed
light
existence
provide
valuable
insights
into
influence
reduction
orders