Modelling and Simulation in Materials Science and Engineering,
Год журнала:
2024,
Номер
32(6), С. 065012 - 065012
Опубликована: Июнь 6, 2024
Abstract
The
application
of
semiconductors
with
optical
properties
has
grown
significantly
in
the
development
semiconductor
photovoltaics.
Here,
we
explore
electronic
and
ternary
transition
metal
sulfide
Rb
2
Ni
3
S
4
by
means
density
functional
theory.
From
structural
perspective,
atoms
are
found
to
form
a
kagome-like
lattice
two-dimensional
plane
.
our
calculations,
is
be
an
indirect
band
gap
∼0.67
eV.
Strong
hybridization
was
observed
between
S-3
p
Ni-3
d
xz
yz
orbitals.
Interestingly,
flat
noticed
below
Fermi
level
demonstrating
one
significant
feature
kagome
lattice.
exhibit
activity
both
visible
lower
ultraviolet
regions
incident
photon
energies.
response
suggests
this
material
may
potential
candidate
for
opto-electronic
device,
given
its
ability
interact
light
across
broad
range
wavelengths.
This
work
expected
motivate
experimental
group
transport
measurements
provide
new
foundation
optics.
Chalcogenide Letters,
Год журнала:
2025,
Номер
22(5), С. 451 - 459
Опубликована: Май 15, 2025
High-performance
glass-ceramics
are
increasingly
explored
for
their
suitability
in
highfrequency
dielectric
applications,
presenting
a
significant
challenge
materials
science.
A
primary
focus
has
been
allocated
to
investigating
borotellurite
glasses
operating
at
frequencies
below
15
MHz.
Borotellurite
with
the
composition
69TeO₂-10B₂O₃-
10PbO-10ZnO-1Er₂O₃
were
fabricated
via
melt-quenching
method.
This
study
examines
effects
of
heat
treatment
durations
(1–24
hours)
on
these
glasses.
Variations
density,
molar
volume,
structure,
and
properties
attributed
changes
non-bridging
oxygen
bonding
resulting
from
treatments.
X-ray
diffraction
analysis
confirmed
amorphous
nature
as-quenched
glass.
Morphological
due
analyzed
using
field
emission
scanning
electron
microscopy,
revealing
grain
size
variations
between
0.237
1.509
μm.
Dielectric
constant
loss
tangent
measured
approximately
7
GHz
resonant
method
both
glass
glass-ceramic
phases
different
crystallization
times.
Heat
increased
crystalline
volume
fraction
within
glass-ceramic.
The
material
demonstrated
up
17.75
±
9
%
1.03
x
10-4
17
%,
indicating
potential
use
microwave
applications.
Physical review. B./Physical review. B,
Год журнала:
2024,
Номер
110(8)
Опубликована: Авг. 14, 2024
We
report
on
our
hard
x-ray
photoemission
study
of
${\mathrm{Nb}}_{3}{\mathrm{Cl}}_{8}$,
wherein
the
breathing
Kagome
lattice
Nb
provides
interesting
magnetic
properties
with
spin
1/2
per
trimer.
The
$\mathrm{Nb}\phantom{\rule{0.16em}{0ex}}3{d}_{5/2}$
and
$3{d}_{3/2}$
core
level
peaks
are
accompanied
by
satellite
peaks,
suggesting
importance
$\mathrm{Nb}\phantom{\rule{0.16em}{0ex}}4d$
charge
degrees
freedom.
$\mathrm{Cl}\phantom{\rule{0.16em}{0ex}}1s$
$2p$
spectra
have
high
binding
energy
which
can
be
assigned
to
Cl
site
$\mathrm{Cl}\phantom{\rule{0.16em}{0ex}}3p$
ligand
holes
near
center
indicate
that
Nb-Nb
Nb-Cl
fluctuations
play
crucial
roles
in
interaction
between
trimers.
We
developed
a
Nb
3
Cl
8
-based
photodetector
with
negative
photoconductivity
from
400
to
1050
nm,
featuring
high
electron
mobility,
strong
I
on
/I
off
ratio,
and
responsivity,
making
it
ideal
for
energy-efficient
optoelectronic
applications.
