The Journal of Physical Chemistry C,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Nov. 26, 2024
Non-π-conjugated
systems
with
a
short
ultraviolet
(UV)
cutoff
edge
have
been
hot
research
topic,
while
achieving
second-harmonic
generation
(SHG)
phase-matching
(PM)
in
the
UV/deep-ultraviolet
(DUV)
regions
is
challenge
for
them
because
of
small
birefringence.
Fluorination
[PO4]
to
[PO2F2]
group
can
greatly
shorten
SHG
PM
wavelength
phosphate
system.
In
this
work,
alkaline-earth
metal
difluorophosphate
system
MgPO2F3
composition
was
designed
by
introducing
dual-type
fluorine
into
Four
thermodynamically
metastable
structures
are
obtained.
All
show
UV/DUV
ability
and
balanced
optical
properties
compared
phosphates.
Among
them,
MgPO2F3-IV
shows
excellent
comprehensive
performance,
coefficients
as
low
0.92
×
KDP
shortest
type
I
down
195
nm.
The
enhanced
mainly
originate
from
groups
F
anions
through
analysis
response
electron
distribution
anisotropy
method
density.
This
work
elucidates
possibility
that
difluorophosphates
be
used
an
alternative
nonlinear
(NLO)
materials.
Chemistry - A European Journal,
Journal Year:
2024,
Volume and Issue:
30(33)
Published: April 15, 2024
Abstract
Assembling
multi‐anionic
groups
is
conducive
to
utilizing
respective
advantage
achieve
the
enhancement
of
optical
performance.
Two
new
hydroxyfluorooxoborates,
Ama
2‐Rb
2
B
3
O
F
4
(OH)
and
K
8
Cs
15
14
7
20
⋅
H
with
[B
(OH)]
six‐membered
rings
were
synthesized
for
first
time.
The
title
compounds
exhibit
short
ultraviolet
cutoff
edges
(<200
nm)
possesses
a
moderate
experimental
refractive
index
difference
0.051@546
nm.
Inorganic Chemistry Frontiers,
Journal Year:
2024,
Volume and Issue:
11(17), P. 5648 - 5656
Published: Jan. 1, 2024
The
novel
tin(
ii
)
phosphate
compound
[Sn
3
OF]PO
4
exhibits
significantly
greater
birefringence
compared
with
F
]PO
(Δ
n
obv.
=
0.117
versus
0.027@546
nm),
achieved
by
breaking
the
undesirable
symmetry
and
reorienting
stereochemically
active
lone
pairs.
Dalton Transactions,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 1, 2025
Fluoride-rich
hydrothermal
synthesis
enables
access
to
five
alkali
metal
manganese(
iii
)
fluorophosphates
containing
low-dimensional
S
=
2
spin
structures,
which
include
a
uniform
chain,
zigzag
chain
and
triangular
network.
Advanced Optical Materials,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 28, 2025
Abstract
Current
nonlinear
optical
(NLO)
materials
encounter
a
classic
dilemma
in
balancing
the
band
gap
and
birefringence,
particularly
short
wavelength
(λ
PM
≤
266
nm)
region.
Utilizing
both
π‐conjugated
non‐π‐conjugated
units
to
construct
NLO
crystals
has
emerged
as
premier
choice
nowadays.
Herein,
combination
of
[CO
3
]/[C(NH
2
)
]
moieties
phosphorus‐based
tetrahedra
generates
nine
new
crystals,
whose
birefringence
obtains
significant
gain
compared
phosphate
crystals.
Experimental
results
demonstrate
that
compounds
have
achieved
balance
between
bandgap
birefringence.
Especially,
large
induces
shortest
phase‐matching
[CN
4
H
7
]H
PO
]HPO
(OH)
be
about
226
200
nm,
respectively,
indicating
they
potential
applications
It
is
worth
mentioning
that,
among
composed
guanidine
P‐based
tetrahedral
groups,
best
knowledge.
Even
more,
this
study
provides
novel
essential
design
strategy
for
short‐wavelength
Inorganic Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 1, 2025
To
maintain
moderate
birefringent
properties
without
compromising
the
wide
optical
transmittance
window
characteristic
of
phosphate
materials,
a
crucial
approach
focuses
on
designing
innovative
functional
units
with
great
performance.
This
research
has
demonstrated
that
[PO3HCH3]
and
[PO3CH2NH3]
serve
as
effective
birefringent-active
components
in
DUV
regions.
study
successfully
prepared
two
novel
crystalline
NH4PO3HCH3
NH4PO3CH2NH3,
which
both
deep-UV
transparency
birefringence.
These
exceed
those
conventional
MgF2
crystals
majority
known
compounds
region.
Computational
investigations
indicate
observed
birefringence
is
from
building
blocks,
highlighting
potential
tetrahedral
coordination
environment
engineering
viable
strategy
for
developing
new
units.
Inorganic Chemistry,
Journal Year:
2024,
Volume and Issue:
63(13), P. 6067 - 6074
Published: March 15, 2024
The
first
examples
of
alkali
metal
selenite
sulfates,
namely,
Na8(SeO3)(SO4)3
(1),
Na2(H2SeO3)(SO4)
(2),
and
K4(H2SeO3)(HSO4)2(SO4)
(3),
were
successfully
synthesized
by
hydrothermal
reactions.
Their
structures
display
three
different
zero-dimensional
configurations
composed
isolated
sulfate
tetrahedra
groups
separated
metals.
(1)
features
a
noncentrosymmetric
structure,
while
(2)
(3)
are
centrosymmetric.
Powder
second-harmonic-generation
measurements
revealed
that
shows
phase-matchable
SHG
intensity
about
1.2
times
KDP.
UV–vis–NIR
diffuse
reflectance
spectroscopic
analysis
indicated
has
short
UV
cutoff
edge
large
optical
band
gap,
which
makes
it
possible
nonlinear
material.
Theoretical
calculations
the
birefringence
is
0.041
at
532
nm,
suitable
for
phase-matching
condition.
This
work
provides
good
experimental
foundation
exploration
new
crystals
in
an
system.
Journal of Physics D Applied Physics,
Journal Year:
2024,
Volume and Issue:
57(32), P. 325303 - 325303
Published: May 7, 2024
Abstract
Phosphate
materials
are
excellent
candidates
for
nonlinear
optical
materials,
thus
necessitating
a
comprehensive
and
in-depth
study
of
them.
Here,
inspired
by
the
interesting
phenomenon
induced
spin-orbit
coupling
(SOC)
effect,
we
extend
it
to
LiPbPO
4
compounds
using
first-principles
approach
probe
influence
SOC
on
electronic
structure
properties
post-transition
metal
compounds.
The
results
show
that
only
bottom
conduction
band
shows
an
energy
level
splitting
with
inclusion
SOC,
which
is
analyzed
come
from
in
Pb
6p
state
since
O
2p
very
weak.
triggers
decrease
gap
change
properties.
performance
analysis
both
refractive
index
second
harmonic
generation
(SHG)
coefficient
enhanced
however,
birefringence
insignificant,
further
found
SHG
values
closer
experimental
values.
In
conclusion,
our
reveals
impact
effect
compounds,
contributing
deeper
understanding
