Journal of Materials Science: Materials in Electronics

https://doi.org/10.1007/s10854-018-0155-1

An investigation of optical constants, solid state parameters and NLO

properties of glycine sodium iodide (GSI): a new auspicious semi
organic NLO crystal for optoelectronics applications
B. Neelakantaprasad1   · G. Rajarajan2 · B. Ravi3 · S. Masilamani4

Received: 22 April 2018 / Accepted: 4 October 2018

© Springer Science+Business Media, LLC, part of Springer Nature 2018

Abstract
Optically very nice quality single crystals of a new semi organic NLO material, glycine sodium iodide (abbreviated as GSI)
­C2H5NO2·NaI had been grown by exploiting slow evaporation technique. The yielded crystals had been of average dimen-
sions 22 ×  4 ×  5 mm3. FTIR spectroscopy showed the vibration frequencies of numerous functional groups in the cultivated
crystal. Single and powder X-ray diffraction studies were executed to determine the crystal structure and lattice parameters
of the synthesized compound. Optical constants such as band gap, refractive index, reflectance, extinction coefficient and
electric susceptibility have been deliberated for the cultivated material from the UV–Vis–NIR spectrum. The optical band
gap of the harvested crystal is perceived to be 5.09 eV. The chemical composition of GSI is analyzed by employing EDX
analysis. The dielectric constant and dielectric loss of the synthesized material have been measured in different frequency
range from 100 Hz to 5 MHz at three different temperatures (40, 50 and 60 °C). Moreover, solid state electronic proper-
ties, such as plasma energy, Penn gap energy, Fermi energy and electronic polarizability of the cultivated crystal have been
calculated. Surface morphology of the harvested material is studied with the aid of scanning electron microscope. From
the second harmonic generation analysis, it is evident that GSI has the efficiency 1.53 times that of potassium dihydrogen
phosphate and hence it is an exemplary material for optoelectronics applications.

1 Introduction have been attracting much attention due to high nonlinear-

Nonlinear Optical materials are having an important con-
tribution in the areas of optical modulation, optical switch-
ing, optical logic, frequency shifting and optical data stor-
age. Several attempts have been made for the exploration
of nonlinear optical materials, which are found in various
applications in optoelectronics [1–7]. Recently, noticeable
research has been focused on semi organic material which
is an organic material mixed with inorganic materials. They
* B. Neelakantaprasad
bnprasadns@gmail.com
1
Department of Physics, K.S.R. College of Engineering,
Tiruchengode, Tamil Nadu 637215, India
2
Department of Physics, Hindustan Institute of Technology &
Science, Chennai, Tamil Nadu 603103, India
3
Department of Physics, Vidyaa Vikas College of Engineering
and Technology, Tiruchengode, Tamil Nadu 637 214, India
4
Department of Physics, K.S.Rangasamy College
of Technology, Tiruchengode, Tamil Nadu 637215, India
ity, chemical flexibility, high mechanical and thermal stabil-
ity, and good transmittance [8–10]. Thermal, microscopic,
X-ray, and spectral analyses are very important methods in
materials’ characterization. Therefore, many authors have
applied these techniques for various materials’ characteri-
zation. NLO materials are capable of generating the sec-
ond harmonic frequency and play an important role in the
development of photonics applications [11–14]. Recently,
there have been extensive efforts to develop nonlinear optical
(NLO) crystals [15–21]. Because of Amino acids have chi-
ral symmetry and crystallize in noncentro-symmetric space
groups, they are more interesting materials for NLO applica-
tions [22]. As a simplest amino acid, glycine has no centre of
chirality and is optically inactive. Also, glycine can exist as
a neutral molecule in the gas phase; it exists as zwitter ions
in solution and in the solid state. Glycine molecules exist in
the dipolar, i.e., zwitterionic form (­ NH3+ ­CH2COO−) [23].
It has monoclinic structure (space group symmetry Pm) with
four formula units per unit cell. In the present investiga-
tion, an alkali metal halide (sodium iodide) has been added
to glycine in the ratio 1:1 and from the obtained product,

13
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single crystals of glycine sodium iodide (GSI) are grown.
The grown crystal is subjected to various characterization
techniques.
2 Experimental
2.1 Synthesis and crystal growth
Glycine and sodium iodide (E. Merck) were mixed in a stoi-
chiometric ratio of 1:1 in doubly distilled water and then
stirred continuously for 6 h for homogenization. The chemi-
cal reaction occurs as follows:
CH2 NH2 COOH + NaI → C2 H5 NO2 ⋅ NaI
The obtained product was purified by the repeated recrys-
tallization process. The complete dissolved solution was fil-
tered using micro filter paper and taken in a Petri dish. It
was optimally closed using a perforated polythene paper and
kept in undisturbed conditions. The solution was allowed
to evaporate at room temperature. After a growth period
of 40 days, well developed and optically transparent GSI
single crystals of average dimensions 22 × 4 × 5 mm3 were
harvested and the photograph of as grown single crystal is
presented in Fig. 1.
2.2 Characterization studies
The structural remembrance of GSI and their purity were
deliberated, manipulating Perkin-Elmer Spectrum-RXI
FTIR spectrometer in the range of 450–4000 cm−1. In spite
of affirm the crystalline nature and to ascertain the lattice
specifications of the cultivated crystal GSI, single crystal
X-ray diffraction studies have been executed, employing
Fig. 1  Photograph of GSI
Table 1  Crystal parameters of GSI crystal a/Å b/Å
GSI crystal
Powder XRD 4.4547 12.1458
Single XRD 4.4572 12.0328
13
Journal of Materials Science: Materials in Electronics
Brukeraxs kappa apex2 CCD Diffractometer with MoKα
radiation in the wavelength 0.71073 Å. Moreover, powder
X-ray diffraction pattern of GSI was registered, exploit-
ing Bruker Kappa Apex II diffractometer with CuKα
radiation(λ = 1.5418 Å) at room temperature with a scan-
ning speed of ­1 ο/min and a scanning range of 20°–80°.
UV–Vis–NIR spectroscopy was manipulated to assess the
optical constants for the grown sample. In order to procure
the particulars about the chemical composition, the grown
crystal was subjected to EDX analysis, manipulating the
instrument Field emission scanning electron microscope
JEOL-JSM-6701 F (Japan) energy dispersive X-ray micro
analyzer. The dielectric measurements of GSI were exe-
cuted manipulating HIOKI 3532-50 LCRHITESTER. In
order to analyze the nature and surface morphology of the
grown crystals, SEM analysis was employed. Scanning
Electron Microscope studies were carried out for the cul-
tivated crystal using FEI Quanta 200 SEM. The Second
harmonic generation efficiency of GSI was computed by
Kurtz and Perry powder technique.
3 Result and discussion
3.1 X‑ray diffraction analysis
In favour of affirm the crystalline nature and to establish
the lattice specifications of the synthesized sample GSI,
single crystal X-ray diffraction studies have been executed,
manipulating Bruker axs kappa apex2 CCD Diffractometer
with MoKα radiation in the wavelength 0.71073 Å. The
intended lattice specification values of GSI are proposed
in Table 1. From these results, it is conspicuous that the
crystal belongs to the monoclinic system with space group
symmetry Pm. The delineated values are well agreed with
the formerly conveyed values [24]. The XRD data of GSI
is manifested in Table 2.
Furthermore, powder X-ray diffraction pattern of GSI
was registered, manipulating Bruker Kappa Apex II dif-
fractometer withCuKα radiation(λ = 1.5418 Å) at room
temperature with a scanning speed of 1°/ min and a scan-
ning range of 20°–80° degree. The powder X-ray diffrac-
tion pattern of GSI was manifested in Fig. 2. Perceivable
Bragg peaks procured at specific 2θ angles stipulating that
the grown crystal was ordered.
c/Å V/Å3 α/o β/o γ/o System
4.3858 229.37 90° 90° 104.904° Monoclinic
4.3727 226.65 90° 90° 104.890° Monoclinic
Journal of Materials Science: Materials in Electronics

Table 2  XRD data of GSI The average crystallite size of the cultivated crystal was
S.No. 2θ (°) FWHM (°) d (Å) I (cps) I/I0 (%) established to be 86 nm.

1 21.879 0.279 4.066 6886 7.6 3.2 FTIR spectral analysis

2 25.424 0.174 3.492 90,837 100
3 29.442 0.264 3.028 8564 9.4 FTIR spectroscopy was manipulated to recognize the func-
4 36.217 0.204 2.486 7477 8.2 tional groups of the synthesized compounds. The registered
5 39.211 0.085 2.293 38,746 42.7 FTIR spectrum of GSI was manifested in Fig. 3 and the
vibration frequencies of GSI were manifested in Table 3.
The FTIR spectrum of grown GSI crystal was recorded at
room temperature in the spectral range 4000–450 cm− 1 by
KBr Pellet method using Perkin-Elmer Spectrum-RXI FT-IR
spectrometer. When the spectrum of GSI was compared
with the spectrum of pure glycine, a few peaks were estab-
lished to be slightly fluctuated. The bands at 3105 cm− 1and
2962  cm− 1 with medium intensity in the higher energy
region were due to NH stretching and ­C H2 symmetric
stretching respectively. C–H stretching bands with medium
intensity occurred at 2889 cm− 1 and 2793 cm− 1 and C–H
out of plane bending with medium intensity occurred at
2604 cm− 1. The bands with weak intensity between 2272
and 2171  cm− 1 were corresponding to N ­ H3 stretching.
Fig. 2  Powder XRD pattern of GSI ­COO− asymmetric stretching with strong intensity occurred
at 1593 cm− 1 and N–H plane bending with strong intensity
The average crystallite size (D) of GSI was enumerated, occurred at 1495 cm− 1 and 1430 cm− 1. The strong absorp-
manipulating Scherrer’s formula from the full width half maxi- tion bands between 1391 cm− 1 and 1323 cm− 1 were corre-
mum (β). spond to C= O asymmetric stretching vibrations. The peaks
at 1153 cm− 1 and 1043 cm− 1 with medium intensity were
0.945 × 𝜆
D= (1) corresponding to C–N stretching. The absorption bands with
𝛽 cos𝜃

99.9

95

90

85
N
80

75

70

65

60
607
55
557
50
%T
45

40 2272

35
2228
30 2171 1043
1153
25

20

15 1126
1495 1391
10 2604 1593 929 685 503
2962 2793 1436 1323 889
5 3105 2889 1335

0.0
4000.0 3600 3200 2800 2400 2000 1800 1600 1400 1200 1000 800 600 450.0
cm-1

Fig. 3  FTIR spectrum of GSI

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 Journal of Materials Science: Materials in Electronics

Table 3  The vibration frequencies of GSI 90

Wavenumber Assignments 80

3105 NH stretching 70

% Transmittance
2962 CH2 symmetric stretching 60
2889, 2793 C–H stretching
50
2604 C–H out of plane bending
40
2228, 2171 NH3 stretching
1593 COO− asymmetric stretching 30

1499, 1430 N–H plane bending 20

1391, 1323 C= O asymmetric stretching
10
1153, 1043 C–N stretching
929, 889 Symmetric coupled vibration of 200 400 600 800 1000 1200

sodium iodide and glycine Wavelength (nm)

685, 607 N–H out of plane bending
557 Deformed vibration of amino group Fig. 4  UV-Vis-NIR spectrum of GSI
503 Torsional vibration of amino group

of the indirect transition. Consequently, inferring the indi-

weak intensity at 929 cm− 1 and 889 cm− 1 were assigned to rect transition among valence band and conduction band,
asymmetric coupled vibration of sodium iodide and glycine. the band gap ­(Eg) is predicted by means of the extrapolation
The absorption bands with weak intensity at 685 cm− 1 of the linear portion of the curve to the factor ( 𝛼 h𝜈)2−0.
and 607 cm− 1 were assigned to N–H out of plane blending. Manipulating this technique, the band gap of GSI becomes
The peaks with weak intensity at 557 cm− 1 and 503 cm− 1 established to be 5.09 eV. As a prominence of extensive
were corresponding to ­COO− deformed and torsional vibra- band gap, the grown crystal has a large transmittance within
tion of amino group, respectively. The assigned vibrational the seen vicinity.
frequencies were having good agreement with conveyed Extinction coefficient is the fragment of misplacement of
values. light or electromagnetic power due to scattering and absorp-
tion per unit thickness or distance in a selected medium. The
3.3 Optical research extinction coefficient (k) may be procured from the subse-
quent equation
The UV-Vis-NIR Spectrum of GSI Crystal was manifested
λα
in Fig. 4. From the perceived spectrum the lower cut-off k= (4)
4π
wavelength of GSI was hooked up to be 227 nm.
The predicted transmittance (T) became manipulated to The transmittance (T) is given by using
enumerate the absorption coefficient (α), manipulating the
relation, (1 − R)2 e−∝t
T= (5)
1 − R2 e−2∝t
2.3026 log (1∕T)
𝛼= (2) Reflectance (R) in terms of the absorption coefficient may
t
be procured from the above equation
where T is the transmittance and t is the thickness of the
[ ]1∕2
crystal. 1 − e−∝t + e∝t
The optical band gap (­ Eg) turned into evaluated from the R=1± (6)
1 − e−∝t
absorption spectrum and optical absorption coefficient (α)
near the absorption edge is given via, Refractive index (n) may be ascertained from the reflec-
√ tance data, employing the following equation
𝛼h𝜈 = A h𝜈 − Eg (3)
(R)1∕2
n = −(R + 1) ± 2 (7)
wherein ­Eg is the optical band gap of the crystal and A is (R − 1)
a constant. The Tauc’s plot of ( 𝛼 h𝜈)2 in opposition to the The refractive index (n) of GSI is 1.54 at λ = 900 nm.
photon strength (hν) at room temperature (Fig. 5) manifests The discrepancy of refractive index (n) and Reflectance (R)
a linear behavior, (α- absorption coefficient and h-planck’s with wavelength of the cultivated crystal are manifested in
consistent) which can be contemplated as an authentication

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Journal of Materials Science: Materials in Electronics

Fig. 5  Band gap of GSI

Fig. 6a, c. From the plots, it is conspicuous that the reflec-
tance and refractive index of GSI have been reduced with
growing of wavelength. Velocity of light in crystal (­ cm) can
be anticipated for the cultivated sample in terms of refractive
index (n), manipulating the subsequent relation:
ca
cm =
n
whereca is the velocity of light in air or vacuum.
The contrast pace of mild (cm) and of extinction coef-
ficient (k) with wavelength for GSI are manifested in Fig. 6
b, d. From the graphs, it is far recognizable that the values of
k and cm of GSI are increased with growing of wavelength.
3.3.1 Electric susceptibility
(8)
From the optical constants n and k, electric susceptibility
(χe) may be computed for GSI on the premise of Eq. (9):

Fig. 6  a Variation of refractive index (n) with λ. b Variation of Velocity of light(cm) with λ. c Variation of reflectance (R) with λ. d Variation of
extinction coefficient (k) with λ

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 Journal of Materials Science: Materials in Electronics

𝜀0 + 4𝜋𝜒e = n2 − k2 (9) In which, c is the velocity of light, α is the absorption

coefficient, n is the refractive index and λ is the wavelength
Hence,
of light.
n2 − K 2 − 𝜀0
𝜒e = (10) 3.3.3 Dispersion energy and excitation energy
4𝜋
In which, the dielectric constant in the deprivation of any GSI crystals manifest high value of optical conductivity
contribution frees from carriers. The discrepancy of extinc- ­(1010 s− 1) and this affirms the existence of excessive photo
tion coefficient and electric susceptibility of GSI with photon reciprocation of the material and this attribute makes the
strength are manifested in Fig. 7a, b. From the plots, it is far material greater illustrious for device applications in data pro-
observable that the extinction coefficient of GSI is decreased cessing and quantifying. Figure 7c, d appear the contrast of
with increasing of photon energy whereas the electric suscepti- the optical and electrical conductivity of GSI as a function
bility becomes multiplied. The price of electrical susceptibility of photon energy. From the plots, it is far obtrusive that the
(χe) of GSI is established to be 0.199 at λ = 900 nm. optical conductivity of GSI becomes expanded with growing
photon energy whereas electric conductivity is reduced. The
3.3.2 Optical and electrical conductivity investigation of the dispersion character depicts a consequen-
tial task in the search for the optical materials, because it is a
The optical and electrical conductivities have been enumerated remarkable feature in optical communication and in designing
for GSI, exploiting the succeeding correlation: optical gadgets for spectral dispersion. The data of the disper-
𝜎op = 𝛼nc
4𝜋 (11) sive refractive index, n (E) can be scrutinized manipulating the
single-effective-oscillator model and it is proposed by Wem-
𝜎e = 2𝜆 𝜎op (12) ple–Didomenico and is widely manipulated for scrutinizing
𝛼

the refractive index of crystalline materials. The result of the

refractive index dispersion below the interband captivation
edge is analogous to the radical electronic excitation spectrum.

Fig. 7  a Variation of extinction coefficient (k) with photon energy. b Variation of electric susceptibility with photon energy. c Variation of opti-
cal conductivity with photon energy. d Variation of electrical conductivity with photon energy

13
Journal of Materials Science: Materials in Electronics

The model demonstrates that the data could be chronicled by The enumerated values of single oscillator specifications
the following Eq. (13): are prescribed in Table 4 and concord with the previously
delineated values [25].
E1 E0 The optical band gap can also be enumerated by manipulat-
n2 (E) = 1 + (13)
E0 2 − E2 ing the relation (18) and the value is 5.03 eV.
E0
where ­E1 is the dispersion energy which is a delimit of the Eg = (18)
intensity of the interband optical transition, does not pivot 2
remarkably on the band gap. E ­ 0 is the oscillator energy or This value is in proficient accordance with the value evalu-
mean excitation energy for electron transition and E is the ated from the optical absorption.
photon energy (E = hν). (where h is the Planck’s constant
(h = 6.626 × 10−34 J-s). Plotting (­n2 − 1)−1 as a function 3.4 EDX analysis
of ­E2 (Fig. 8) enables the establishment of the oscillator
specifications. In spite of procure the details about the chemical configura-
The values of ­E1 and ­E0 are enumerated from the slope (−1/ tion of the cultivated sample, a meticulous technique called
E0 ­E1) and the intercept E­ 0/E1 with the Y-axis of the straight Energy-dispersive X-ray spectroscopy is manipulated. In this
line is shown in Fig. 8. There is an important specification study, the synthesized crystal is subjected to EDX analysis,
called the oscillator strength (f) which is enumerated by manipulating the device Field emission scanning electron
manipulating the following relation: microscope JEOL-JSM-6701 F(Japan) energy dispersive X-ray
micro analyzer. Figure 9 manifests the counts per second ver-
f = E0 E1 (14)
sus energy of EDX spectrum of GSI. The peaks correlate with
A delimit of inter band transition strengths can be rendered carbon, nitrogen, oxygen, sodium and iodine are observed for
from the ­M−1 and M ­ −3 moments of the optical spectrum. A GSI single crystal. From the EDX spectrum the evolution of
simple relation connecting the single oscillator specifications new crystal GSI is confirmed.
and the moments can be manifested as.
M−1 3.5 Dielectric studies
E0 2 = (15)
M−3
The variation of dielectric constant and the dielectric loss of
the grown crystal with temperatures are analyzed at differ-
(M−1 )3 ent temperatures using the HIOKI3532 LCR HITESTER in
E1 2 = (16)
M−3 the frequency zone 100 Hz–5 MHz. The dielectric constant
and dielectric loss of GSI are computed, manipulating Agilent
The above two equations can be interpreted and the values 4284-A LCR meter. The dimension of the sample manipu-
of ­M−1 and ­M−3 moments are manifested as (17). lated is 6 ×  5 ×  5 mm3 (GSI). Two conflicting surfaces across
the breadth of the sample are treated with good quality silver
E1 E pastes in spite of procure fine ohmic contact. The dielectric
M−1 = and M−3 = 13 (17)
E0 E0 constant is computed as a consequence of the frequency at
three disparate temperatures (40, 50 and 60 °C) and is depicted
in Fig. 10a, while the corresponding dielectric loss is depicted
0 .7 4 in Fig. 10b respectively. The dielectric constant is enumerated,
0 .7 2 manipulating the relation,
0 .7 0
0 .6 8 Cd
0 .6 6
𝜀r =
𝜀0 A (19)
-1

0 .6 4
(n -1)

0 .6 2
2

0 .6 0 Table 4  Single oscillator specifications of GSI

0 .5 8
0 .5 6 Single oscillator specifications Values
0 .5 4
0 .5 2 Dispersion energy (E1) 14.29 eV
0 .5 0
0 2 4 6 8 10
Average excitation energy (E0) 10.06 eV
Oscillator strength (f) 143.76 (eV)2
E 2 (eV 2 )
Transition strength (­ M−1) 1.42
Transition strength ­(M−3) 0.014 (eV)−2
Fig. 8  Plot of (­ n2 − 1)−1 as a function of E
­ 2 of GSI

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 Journal of Materials Science: Materials in Electronics

Fig. 9  EDX spectrum of GSI

Fig. 10  a Dielectric constant o

40 C
versus frequency of GSI. b (a) 1600 o
50 C
Dielectric Loss versus fre- o
60 C
quency of GSI 1400

1200
Dielectric Constant

1000

800

600

400

200

2 3 4 5 6 7

Log f

o
40 C
(b) 4.0 o
50 C
o
60 C
3.5

3.0
Dielectric Loss

2.5

2.0

1.5

1.0

0.5

0.0

2 3 4 5 6 7

Log f

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Journal of Materials Science: Materials in Electronics

From the above equation, “d” is the thickness of the sample [ ( )2 ]

ℏ𝜔p S0 M
and “A” denotes the area of the sample. It is perceived from ∝ = ( )2 + × 0.396 × 10−24 cm3
the Fig. 10a that the dielectric constant decreases exponentially ℏ𝜔p S0 + 3Ep 2 𝜌
with increasing frequency and then procures almost a persis- (23)
tent value in the high frequency zone. Moreover, this stipu- where ­S0 is a constant given by
lates that the value of the dielectric constant increases with
[ ] [ ]2
an increase in the temperature. The total polarization present Ep 1 Ep
in the material is owing to ionic, electronic, dipolar and space S0 = 1 − + (24)
4EF 3 4EF
charge polarizations. The contribution to the decrease in the
dielectric constant due to electronic polarization is absolutely The value of α procured from Eq. (23) meticulously fac-
less. Figure 10b demonstrates that the dielectric loss is heavily similes with that procured manipulating the Clausius–Mos-
dependent on the frequency of the applied field, similar to that sotti relation,
of the dielectric constant. The dielectric loss decreases with [ ]
an increase in the frequency at nearly all temperatures, but 3M 𝜀∞ − 1
∝ = (25)
appears to attain saturation in the higher frequency and above, 4𝜋N𝜌 𝜀∞ + 2
at all the temperatures. In the low frequency region, prominent Considering that the polarizability is prominently delicate
energy loss is perceived, which may be owing to the dielectric to the bandgap (24), the following empirical relation is also
polarization, space-charge and rotation-direction polarization manipulated to enumerate α
arising in the low frequency range. The prominent dielectric
constant at low frequencies may be due to the existence of ⎡ � �1∕2 ⎤
all the four polarizations, namely, space charge, orientation, Eg
∝ = ⎢1 − ⎥ × M × 0.396 × 10−24 cm3 (26)
electronic and ionic polarization and its low value at higher ⎢ 4.06 ⎥ 𝜌
⎣ ⎦
frequencies may be due to the gradual loss of consequence of
these polarizations.
where E ­ g is the bandgap value resolved through the UV
In the suggested relation only one specification viz., the
transmission spectrum.
prominent frequency dielectric constant is required as the input
The prominent frequency dielectric constant of materi-
to enumerate the electronic properties like valence electron
als is a prime specification for enumerating the physical or
plasma energy, average energy gap or Penn gap, Fermi energy
electronic properties of materials. All the above specifica-
and electronic polarizability. The theoretical calculations man-
tions are evaluated and manifested in Table 5. These values
ifest that the high frequency dielectric constant is obviously
are in proficient compatibility with previously delineated
dependent on the valence electron Plasmon energy, an average
values [26].
energy gap referred to as the Penn gap and Fermi energy. The
Penn gap is determined by fitting the dielectric constant with
the Plasmon energy.
3.6 SEM analysis
√
Z𝜌 SEM analysis is exploited to analyze the nature and surface
ℏ𝜔p = 28.8 (20)
M morphology of the synthesized sample. Scanning Electron
Microscope studies for the grown sample were consummated
ℏ𝜔p using FEI Quanta 200 SEM. Since the organic materials are
Ep = √( non-conducting in nature, carbon coating should be done for
) (21)
∈∞ − 1 10 s to the cultivated crystal before subjecting its surface to
electron beam. The SEM images of GSI are taken into differ-
(√ ) ent magnifications and are shown in Fig. 11 and they depict
3 ( )4
EF = 0.2948 ℏ𝜔p (22)

Table 5  Electronic Specifications GSI

specifications of GSI single
crystals Plasma energy (hωp) 18.00501 eV
Penn gap (Ep) 2.81191 eV
Fermi energy ­(EF) 13.91186 eV
Electronic polarizability (manipulating Penn analysis) 2.634132 × 10− 23 cm3
Electronic polarizability (manipulating Clausius–Mossotti relation) 2.647715 × 10− 23 cm3
Electronic polarizability (manipulating bandgap) 2.349084 × 10− 23 cm3

13

the surfaces of the synthesized crystal. From the image it is
perceived that the surface of GSI appears as smooth.
3.7 SHG analysis
The Second harmonic generation efficiency of GSI was
investigated by Kurtz and Perry powder technique. A
Q-switched mode locked Nd:YAG laser of wavelength
1064 nm with a pulse width of 8 ns and a replication rate of
10 Hz was permitted to pass through the powdered sample
(GSI) which was kept in a capillary tube. The excretion of
green light with a wavelength of 532 nm affirms the second
harmonic generation efficiency of GSI. A second harmonic
out signal of 121 mV was procured for an input beam of
energy 2.149 mJ/pulse for GSI. For the same incident radia-
tion the output signal was perceived as 79 mV for KDP.
Hence it is established that the SHG efficiency of GSI crystal
is 1.53 times that of standard potassium dihydrogen phos-
phate (KDP). Comparative SHG efficiencies of some semi
organic crystals relative to potassium dihydrogen Phosphate
(KDP) equalling 1.0 are manifested in Table 6. From the
results, it is perceptible that GSI has the prohibitive SHG
efficiency and hence it is an optimistic NLO crystal for opto-
electronic applications.
4 Conclusion
Single crystals of GSI have been auspiciously grown by
the slow evaporation technique from aqueous solution. The
FTIR trace displays the existence of amino groups and
other functional groups. The X-ray diffraction analysis is
substantiated the mono clinic structure of the cultivated
sample. From the UV–Vis–NIR spectroscopy, the optical
Fig. 11  SEM Images of GSI
13
Journal of Materials Science: Materials in Electronics
Table 6  Comparative SHG efficiency of GSI relative to potassium
dihydrogen phosphate (KDP)
Name of the crystal SHG efficiency
(KDP = 1.0)
GAMMA GLYCINE [27] 1.5
GT [28] 0.5
GZC [29] 0.5
GSI [Present work] 1.53
constants and single oscillator specifications are enumer-
ated. The particulars about the chemical composition of
the grown crystals are procured by manipulating an ana-
lytical technique called Energy-dispersive X-ray spectros-
copy. The dielectric test displays that the net polarization
value of the grown sample decreases with the increase
in frequency and becomes minimum at optical frequency
span. Surface morphology of the synthesized compound is
studied by scanning electron microscope (SEM). The SHG
efficiency test reveals that the efficiency of GSI single
crystal is 1.53 times that of standard potassium dihydro-
gen phosphate (KDP). As a consequence of its prominent
NLO efficiency, GSI is a suitable and promising material
for optoelectronics applications.
Journal of Materials Science: Materials in Electronics
Acknowledgements  The authors desire to recognize IISC-Bangalore,
India, for presuming the prerequisites for SHG measurement. The
authors also grateful to STIC Cochin, India, for presuming Single
Crystal XRD, Powder XRD, UV, FTIR instrumental facilities. The
authors are also desire to recognize SASTRA University, Thanjavur,
India for presuming the prerequisites for EDX and SEM. The authors
are thankful to St. Joseph’s College, Trichy, India, for providing the
prerequisites for Dielectric measurement. The authors are also grateful
to Prof. SundaraBharathi for his invaluable support.
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