We
develop
a
systematic
theory
for
excitons
subject
to
Fermi-Hubbard
physics
in
moir\'e
twisted
transition
metal
dichalcogenides
(TMDs).
Specifically,
we
consider
from
two
bands
with
Mott-insulating
valence
band
sustaining
${120}^{\ensuremath{\circ}}$
spin
order.
These
``Mott-moir\'e
excitons,''
which
are
achievable
TMD
heterobilayers,
bound
states
of
magnetic
polaron
the
and
free
electron
conduction
band.
find
significantly
narrower
exciton
bandwidths
presence
Hubbard
physics,
serving
as
potential
experimental
signature
strong
correlations.
also
demonstrate
high
tunability
Mott-moir\'e
through
dependence
their
binding
energies,
diameters,
on
period.
In
addition,
study
between
charges
outside
strongly
correlated
that
these
well
exhibit
signatures
correlation.
Our
work
provides
guidelines
future
exploration
triangular
systems
such
heterobilayers.
Science,
Journal Year:
2023,
Volume and Issue:
379(6639)
Published: March 31, 2023
Moiré
superlattices,
the
artificial
quantum
materials,
have
provided
a
wide
range
of
possibilities
for
exploration
completely
new
physics
and
device
architectures.
In
this
Review,
we
focus
on
recent
progress
emerging
moiré
photonics
optoelectronics,
including
but
not
limited
to
excitons,
trions,
polaritons;
resonantly
hybridized
excitons;
reconstructed
collective
excitations;
strong
mid-
far-infrared
photoresponses;
terahertz
single-photon
detection;
symmetry-breaking
optoelectronics.
We
also
discuss
future
opportunities
research
directions
in
field,
such
as
developing
advanced
techniques
probe
emergent
optoelectronics
an
individual
supercell;
exploring
ferroelectric,
magnetic,
multiferroic
systems;
using
external
degrees
freedom
engineer
properties
exciting
potential
technological
innovations.
Science,
Journal Year:
2023,
Volume and Issue:
380(6647), P. 860 - 864
Published: May 11, 2023
A
panoply
of
unconventional
electronic
states
has
been
observed
in
moiré
superlattices.
Engineering
similar
bosonic
phases
remains,
however,
largely
unexplored.
We
report
the
observation
a
correlated
insulator
tungsten
diselenide/tungsten
disulfide
(WSe2/WS2)
superlattices
composed
excitons,
that
is,
tightly
bound
electron-hole
pairs.
develop
pump
probe
spectroscopy
method
we
use
to
observe
an
exciton
incompressible
state
at
filling
νex
=
1
and
charge
neutrality,
indicating
excitons.
With
varying
density,
continuously
transitions
into
electron
νe
1,
suggesting
mixed
insulating
between
two
limits.
Our
studies
establish
semiconducting
as
intriguing
platform
for
engineering
phases.
Chemical Reviews,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 2, 2025
Two-dimensional
transition
metal
dichalcogenides
(2D
TMDs)
are
a
promising
class
of
functional
materials
for
fundamental
physics
explorations
and
applications
in
next-generation
electronics,
catalysis,
quantum
technologies,
energy-related
fields.
Theory
simulations
have
played
pivotal
role
recent
advancements,
from
understanding
physical
properties
discovering
new
to
elucidating
synthesis
processes
designing
novel
devices.
The
key
has
been
developments
ab
initio
theory,
deep
learning,
molecular
dynamics,
high-throughput
computations,
multiscale
methods.
This
review
focuses
on
how
theory
contributed
progress
2D
TMDs
research,
particularly
twisted
moiré-based
TMDs,
predicting
exotic
phases
TMD
monolayers
heterostructures,
nucleation
growth
synthesis,
comprehending
electron
transport
characteristics
different
contacts
potential
devices
based
heterostructures.
notable
achievements
provided
by
highlighted,
along
with
the
challenges
that
need
be
addressed.
Although
demonstrated
prototype
created,
we
conclude
highlighting
research
areas
demand
most
attention
simulation
might
address
them
aid
attaining
true
toward
commercial
device
realizations.
Science,
Journal Year:
2022,
Volume and Issue:
378(6625), P. 1235 - 1239
Published: Dec. 15, 2022
Electronic
and
optical
excitations
in
two-dimensional
moir\'e
systems
are
uniquely
sensitive
to
local
atomic
registries,
leading
materials-
twist-angle
specific
correlated
electronic
ground
states
with
varied
degree
of
localization.
However,
there
has
been
no
direct
experimental
correlation
between
the
sub-nanometer
structure
emergent
excitonic
transitions,
comprising
tightly-bound
pairs
photoexcited
electrons
holes.
Here,
we
use
cryogenic
transmission
electron
microscopy
spectroscopy
simultaneously
image
structural
reconstruction
associated
localization
lowest-energy
intralayer
exciton
a
rotationally
aligned
heterostructure
WS2
WSe2
monolayers.
In
conjunction
ab
initio
calculations,
determine
that
center-of-mass
wavefunction
is
strongly
modulated
space,
confined
radius
~
2
nm
around
highest-energy
stacking
site
unit-cell,
forming
triangular
lattice.
Our
results
provide
evidence
reconstructions
lead
confining
potentials
engineering
strain
at
nanoscale
will
enable
new
types
lattices.
Nature Communications,
Journal Year:
2023,
Volume and Issue:
14(1)
Published: May 24, 2023
Lattice
reconstruction
and
corresponding
strain
accumulation
play
a
key
role
in
defining
the
electronic
structure
of
two-dimensional
moir\'e
superlattices,
including
those
transition
metal
dichalcogenides
(TMDs).
Imaging
TMD
moir\'es
has
so
far
provided
qualitative
understanding
this
relaxation
process
terms
interlayer
stacking
energy,
while
models
underlying
deformation
mechanisms
have
relied
on
simulations.
Here,
we
use
interferometric
four-dimensional
scanning
transmission
electron
microscopy
to
quantitatively
map
mechanical
deformations
through
which
occurs
small-angle
twisted
bilayer
MoS2
WSe2/MoS2
heterobilayers.
We
provide
direct
evidence
that
local
rotations
govern
for
homobilayers,
dilations
are
prominent
heterobilayers
possessing
sufficiently
large
lattice
mismatch.
Encapsulation
layers
hBN
further
localizes
enhances
these
in-plane
pathways,
suppressing
out-of-plane
corrugation.
also
find
extrinsic
uniaxial
heterostrain,
introduces
constant
difference
leads
redistribution
strain,
demonstrating
another
route
modify
potential.
Chemical Reviews,
Journal Year:
2023,
Volume and Issue:
124(4), P. 1862 - 1898
Published: Dec. 27, 2023
Stacking
orders
in
2D
van
der
Waals
(vdW)
materials
dictate
the
relative
sliding
(lateral
displacement)
and
twisting
(rotation)
between
atomically
thin
layers.
By
altering
stacking
order,
many
new
ferroic,
strongly
correlated
topological
orderings
emerge
with
exotic
electrical,
optical
magnetic
properties.
Thanks
to
weak
vdW
interlayer
bonding,
such
highly
flexible
energy-efficient
order
engineering
has
transformed
design
of
quantum
properties
materials,
unleashing
potential
for
miniaturized
high-performance
device
applications
electronics,
spintronics,
photonics,
surface
chemistry.
This
Review
provides
a
comprehensive
overview
their
applications,
ranging
from
typical
fabrication
characterization
methods
novel
physical
emergent
slidetronics
twistronics
prototyping.
The
main
emphasis
is
on
critical
role
affecting
charge
transfer,
orbital
coupling
flat
band
formation
innovative
on-demand
potentials.
demonstrating
correlation
configurations
functionality,
we
highlight
implications
next-generation
electronic,
photonic
chemical
energy
conversion
devices.
We
conclude
our
perspective
this
exciting
field
including
challenges
opportunities
future
research.
The
stacking
of
twisted
two-dimensional
(2D)
layered
materials
has
led
to
the
creation
moiré
superlattices,
which
have
become
a
new
platform
for
study
quantum
optics.
strong
coupling
superlattices
can
result
in
flat
minibands
that
boost
electronic
interactions
and
generate
interesting
strongly
correlated
states,
including
unconventional
superconductivity,
Mott
insulating
excitons.
However,
impact
adjusting
localizing
excitons
Van
der
Waals
heterostructures
yet
be
explored
experimentally.
Here,
we
present
experimental
evidence
localization-enhanced
WSe2/WS2/WSe2
heterotrilayer
with
type-II
band
alignments.
At
low
temperatures,
observed
multiple
splitting
heterotrilayer,
is
manifested
as
sharp
emission
lines,
stark
contrast
excitonic
behavior
WSe2/WS2
heterobilayer
(which
linewidth
4
times
wider).
This
due
enhancement
two
potentials
enabling
highly
localized
at
interface.
confinement
effect
potential
on
further
demonstrated
by
changes
temperature,
laser
power,
valley
polarization.
Our
findings
offer
approach
twist-angle
heterostructures,
development
coherent
light
emitters.