Nucl. Phys.

A 1043 (2024) 122831

Contents lists available at ScienceDirect

Nuclear Physics A
journal homepage: www.elsevier.com/locate/nuclphysa

Shape evolution and shape coexistence in even-even Mo isotopic

chain
Y. El Bassem a,b,∗ , M. El Adri a , A. El Batoul a , M. Oulne a
a High Energy Physics and Astrophysics Laboratory, Department of Physics, Faculty of Sciences Semlalia, Cadi Ayyad University P.O.B 2390,
Marrakesh, Morocco
b ERMAM, Polydisciplinary Faculty of Ouarzazate, Ibn Zhor University, P.O.B 638, Ouarzazate, Morocco

A R T I C L E I N F O A B S T R A C T

Keywords: The phenomena of shape evolution and shape coexistence within the Molybdenum isotopic chain
Shape coexistence are investigated using the covariant density functional theory with the parameterizations DD-
Shape evolution ME2 and DD-PC1. Furthermore, various ground state properties of this chain are investigated,
Covariant density functional theory
including binding energy, two-neutron separation energy, charge radii, and two-neutron shell
Mo isotopes
gap. A robust agreement is observed when comparing with the available experimental data. The
ground state deformation of Mo isotopes evolves smoothly and correlates with the continuous
and gradual changes observed in the physical properties. A noticeable phenomenon of shape
coexistence can be observed in certain isotopes, marked by the simultaneous existence of both a
triaxial and an oblate axial minimum. A pronounced and well-defined shell closure is prominently
evident at the neutron magic number 𝑁 = 82.

1. Introduction

Over the past few decades, Extensive interest has been devoted to studying the evolution of nuclear shapes in nuclei with a
mass number of around 𝐴 ≈ 100 within the context of nuclear structure research [1]. This region has been characterized by a shape
instability [2], making it highly likely to exhibit shape coexistence.
A multitude of experimental studies [3,4] have already been published regarding the structural characteristics of these nuclei,
such as laser spectroscopy measurements [5] and spectroscopic studies [6] as well as the 2+ lifetime measurements [7].
Numerous theoretical investigations [8,9] with different formalisms have been undertaken to comprehend the evolution of the
nuclear structure, this includes the interacting boson model (IBM) [10], the relativistic mean-field (RMF) model [11], and the non-
relativistic self-consistent mean-field models [12].
In this context, the primary focus of this paper is to examine the progression of nuclear shapes in the Molybdenum (Mo, Z=42)
isotopic chain using the covariant density functional theory (CDFT). CDFT is known for its successful description of nuclear properties,
whether within the valley of stability or beyond. One of the key advantages of this theory is its natural inclusion of the nucleon spin
degree of freedom [13,14].

* Corresponding author at: High Energy Physics and Astrophysics Laboratory, Department of Physics, Faculty of Sciences Semlalia, Cadi Ayyad University P.O.B
2390, Marrakesh, Morocco.
E-mail addresses: y.elbassem@uiz.ac.ma (Y. El Bassem), eladri.mohamed@gmail.com (M. El Adri), abdelwahed.elbatoul@uca.ac.ma (A. El Batoul),
oulne@uca.ma (M. Oulne).

https://doi.org/10.1016/j.nuclphysa.2024.122831
Received 1 September 2023; Received in revised form 20 December 2023; Accepted 9 January 2024
Available online 11 January 2024
0375-9474/© 2024 Elsevier B.V. All rights reserved.
Y. El Bassem, M. El Adri, A. El Batoul et al. Nuclear Physics, Section A 1043 (2024) 122831

The investigation covers a broad spectrum of neutron numbers, ranging from N=50 to N=88, by employing two distinct func-
tionals: the density-dependent meson-exchange DD-ME2 [15] and the density-dependent point-coupling DD-PC1 [16].
The following is the organization of this paper: In Section 2, a general overview of the theoretical formalism is presented. Details
of calculations are given in section 3. Section 4 is dedicated to the presentation of our results and discussion. The study’s conclusions
are ultimately outlined in section 5.

2. Theoretical framework

In this study, two categories of covariant density functional models are employed: the density-dependent meson-exchange (DD-
ME) model and the density-dependent point-coupling (DD-PC) model. The DD-ME model encompasses a finite interaction range and
has been parameterized based on binding energies and radii of spherical nuclei. In contrast, the DD-PC model employs a zero-range
interaction and has been adjusted to accurately reproduce the binding energies of a wide variety of deformed nuclei.
The standard Lagrangian density with medium dependence vertice that defines the meson-exchange model is given by: [15]
[ ]
 = 𝜓̄ 𝛾(𝑖𝜕 − 𝑔𝜔 𝜔 − 𝑔𝜌 𝜌⃗ 𝜏⃗ − 𝑒𝐴) − 𝑚 − 𝑔𝜎 𝜎 𝜓 + 12 (𝜕𝜎)2 − 12 𝑚2𝜎 𝜎 2
− 14 Ω𝜇𝜈 Ω𝜇𝜈 + 12 𝑚2𝜔 𝜔2 − 14 𝑅⃗ 𝜇𝜈 𝑅⃗ 𝜇𝜈 + 12 𝑚2𝜌 𝜌⃗ 2 − 14 𝐹𝜇𝜈 𝐹 𝜇𝜈 (1)
In Eq. (1), the variables are defined as follows: 𝑚 denotes the bare nucleon mass, 𝜓 represents the Dirac spinors. 𝑚𝜎 , 𝑚𝜔 , and 𝑚𝜌
correspond to the masses of the 𝜎 meson, 𝜔 meson, and 𝜌 meson, respectively. 𝑒 represents the electric charge of the proton, and it
equals zero for neutrons.
The point-coupling model provides a simplified formulation of the self-consistent relativistic mean-field framework [18,19]. The
Lagrangian of the DD-PC model [16] can be written as:

 = 𝜓̄ (𝑖𝛾 ⋅ 𝜕 − 𝑚) 𝜓 − 12 𝛼𝑆 (𝜌)
̂ (𝜓𝜓)
̄ (𝜓𝜓) ̄
( ) ( )( )
1
− 2 𝛼𝑉 (𝜌) ̄ 𝜇 𝜓) 𝜓𝛾
̂ (𝜓𝛾 1
̂ 𝜓̄ 𝜏⃗𝛾 𝜇 𝜓 𝜓̄ 𝜏⃗𝛾𝜇 𝜓
̄ 𝜇 𝜓 − 2 𝛼𝑇 𝑉 (𝜌) (2)
( ) 𝑣 (1−𝜏 )
− 12 𝛿𝑆 𝜕𝑣 𝜓𝜓̄ (𝜕 𝜓𝜓)
̄ − 𝑒𝜓𝛾
̄ ⋅ 𝐴 2 3 𝜓.
Eq. (2) includes the free-nucleon Lagrangian, the point coupling interaction terms, and the coupling of the proton to the electromag-
netic field. The derivative terms encompass the predominant impacts of finite-range interaction.

3. Details of calculations

This work is realized by using the relativistic Hartree-Bogoliubov (RHB) theory based on the DD-ME2 and DD-PC1 parametriza-
tions and separable pairing within the DIRHB computer code [17]. In this code, the RHB equations can be solved iteratively in a
basis of spherical, axially symmetric or triaxial harmonic oscillator (HO). In the present work, we have employed the finite-range
pairing interaction separable in coordinate space, as proposed by Tian et al. [20]. It is given in the pp-channel by

𝑉 𝑝𝑝 (𝐫𝟏 , 𝐫𝟐 , 𝐫𝟏′ , 𝐫𝟐′ ) = −𝐺𝛿(𝐑 − 𝐑′ )𝑃 (𝑟)𝑃 (𝑟′ ), (3)

1 𝟏
where 𝐑 = √ (𝐫𝟏 + 𝐫𝟐 ) is the centre of mass, and 𝐫 = √ (𝐫𝟏 − 𝐫𝟐 ) are the relative coordinates. 𝑃 (𝑟) denotes the form factor, which is
2 𝟐
given by
2
1 − 𝑟
𝑃 (𝑟) = 𝑒 4𝑎2 (4)
(4𝜋𝑎2 )3∕2
The pairing strength (𝐺 ) and pairing width (𝑎) have been adjusted to reproduce the density dependence of the pairing gap at
the Fermi surface of symmetric nuclear matter. In particular, we have used the values 𝐺 = 728 MeV 𝑓 𝑚3 and 𝑎 = 0.6442 that were
determined in order to match the shape of the pairing gap with the one obtained from the pairing part of the D1S parametrisation of
the Gogny force.
The numbers of oscillator shells for fermions and bosons are set to 𝑁𝐹 = 12 and 𝑁𝐵 = 20, respectively. It is worth noting that,
for convergence reasons, 𝑁𝐹 = 14 was also initially considered. However, due to the highly time-consuming nature of constrained
triaxial calculations and the negligible difference in results, all the calculations reported in the present work were performed using
𝑁𝐹 = 12 and 𝑁𝐵 = 20.

4. Results and discussion

The microscopic description of the isotopic chain of Mo, from the neutron number N = 50 to 88, is presented in this section.
Constrained calculations are carried out to derive the potential energy surfaces (PES) in both axial and triaxial configurations. In
addition, we have studied various ground-state properties of Mo such as binding energy, two-neutron separation energy (𝑆2𝑛 ), charge
radii and two-neutron shell gap (𝛿2𝑛 ). To perform these calculations, we utilized the interactions DD-ME2 and DD-PC1.
Fig. 1 illustrates the potential energy curves (PECs) for each even-even Mo isotope, plotted against the deformation parameter 𝛽2 .

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Y. El Bassem, M. El Adri, A. El Batoul et al. Nuclear Physics, Section A 1043 (2024) 122831

Fig. 1. Potential energy curves for 92−130 Mo calculated using the CDFT with the DD-ME2 force (red dashed line) and with the DD-PC1 force (black solid line). (For
interpretation of the colors in the figure(s), the reader is referred to the web version of this article.)

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Y. El Bassem, M. El Adri, A. El Batoul et al. Nuclear Physics, Section A 1043 (2024) 122831

Table 1
Location of the ground state in the 𝛽2 -𝛾
deformation space for Mo isotopes using
DD-ME2 and DD-PC1 parametrizations.

Nucleus DD-ME2 DD-PC1

92 Mo Spherical Spherical
94 Mo (0.15, 0◦ ) (0.15, 0◦ )
96 Mo (0.2, 25◦ ) (0.2, 20◦ )
98 Mo (0.25, 0◦ ) (0.25, 0◦ )
100 Mo (0.25, 20◦ ) (0.25, 20◦ )
102 Mo (0.35, 20◦ ) (0.3, 20◦ )
104 Mo (0.4, 15◦ ) (0.4, 15◦ )
106 Mo (0.4, 15◦ ) (0.25, 60◦ )
108 Mo (0.25, 60◦ ) (0.25, 60◦ )
110 Mo (0.25, 60◦ ) (0.25, 60◦ )
112 Mo (0.2, 60◦ ) (0.25, 60◦ )
114 Mo (0.2, 60◦ ) (0.2, 60◦ )
116 Mo (0.2, 40◦ ) (0.2, 50◦ )
118 Mo (0.1, 0◦ ) (0.15, 60◦ )
120 Mo (0.1, 0◦ ) Spherical
122 Mo Spherical Spherical
124 Mo Spherical Spherical
126 Mo Spherical Spherical
128 Mo Spherical Spherical
130 Mo Spherical (0.2, 0◦ )

As we can see from Fig. 1, the 92 Mo isotope has a spherical shape as it corresponds to the shell closure at the neutron magic
number 𝑁 = 50. As one moves away from the shell closure at 𝑁 = 50, the evolution of the deformed shapes is observed. The 94 Mo
isotope starts to develop a shallow prolate minimum with 𝛽2 = 0.15. The next isotopes 96−100 Mo have a more pronounced prolate
minimum, 𝛽2 = 0.25 and an oblate local minimum. The prolate-to-oblate transition occurs smoothly in the case of 100 Mo (prolate) to
102 Mo (oblate) within the DD-PC1 model, and similarly, between 102 Mo (prolate) and 104 Mo (oblate) within the DD-ME2 model. In
104−118 Mo two minima appear, with a well deformed oblate minimum, 𝛽 ≈ −0.25, and a prolate local minimum. With the increase
2
in mass number, the presence of the two distinctly deformed minima diminishes gradually, leading to a spherical shape for 120−128 Mo
isotopes. This spherical shape is particularly notable around the neutron magic number 𝑁 = 82. The last isotope, 130 Mo, initiates the
development of a prolate minimum with 𝛽2 = 0.2 for DD-PC1, while retaining the spherical shape in the case of DD-ME2.
Figs. 2 and 3 show the PES for Mo isotopes from neutron number N = 50 to 88 in the (𝛽2 ; 𝛾 ) plane, where 𝛽2 quantify the
deformation of the nucleus while 𝛾 measures the degree of triaxiality. The calculations were carried out in a systematic manner using
constrained triaxial calculations that map the quadrupole deformation space defined by the parameters 𝛽2 and 𝛾 . These calculations
employed the DD-ME2 and DD-PC1 effective interactions. Energies are scaled relative to the binding energy of the global minimum
The quadrupole deformations of the ground state in the 𝛽2 − 𝛾 plane, which correspond to the global minima of the triaxial
potential energy surface, are presented in Table 1.
From Figs. 2 and 3, one can notice that the DD-PC1 and DD-ME2 interactions provide extremely similar potential energy surfaces,
and that the transition in shape is highly evident.
Starting from a well spherical shape in 92 Mo, the spherical minimum in 94 Mo becomes soft against the distortion towards prolate
shape. The triaxial shape of the ground state begins to appear in 96 Mo, and it becomes much clearer when the neutron number
increases from 𝑁 = 56 to 𝑁 = 60. The shape coexistence is clearly visible in 106−110 Mo isotopes which are found to possess both a
triaxial and oblate axial minima. As one move along the chain, the two minima gradually converge and merge, resulting in a singular
oblate minimum for isotopes ranging from 112 Mo to 118 Mo. Finally the spherical shape is regained at 126−130 Mo near the shell closure
at the neutron magic number 𝑁 = 82 for both parameterizations DD-ME2 and DD-PC, with the exception of 130 Mo, which has a
prolate axial minimum in the case of the DD-PC1.
The results obtained within axial and triaxial calculations were presented to highlight differences in nuclear shapes and ground-
state configurations. For instance, in the case of 96 Mo, the potential energy curves from axial symmetry calculations indicate a prolate
ground state, while constrained triaxial calculations reveal a triaxial ground state.
Our results are entirely in agreement with those of Ref. [11] obtained in the same framework where the authors studied only
92−108 Mo isotopes and missed the interesting features of the neutron-rich side of the Molybdenum chain observed in this work. Also,

our results fully agree with those presented in Ref. [21] where the authors use point coupling model with the parameter set PC-K1.
In addition, there is a good concordance with the results of Ref. [10] obtained within the framework of the interacting boson model
(IBM).
The physical properties of the ground state of Mo isotopes, including binding energy (𝐵𝐸 ), two neutron separation energies
(𝑆2𝑛 ), charge radii (𝑅𝑐 ) and two-neutron shell gap (𝛿2𝑛 ) are related to the shape evolution in the isotopic chain seen previously.
These physical properties, obtained through triaxial calculations at the ground states defined in Table 1, are presented as a function
of the neutron number 𝑁 in Figs. 4, 5, 6 and 7.
Fig. 4 illustrates the binding energy per nucleon (BE/A) for the ground states of Mo isotopes, ranging from 92 Mo to 130 Mo, plotted
against the neutron number 𝑁 . It also includes the existing experimental data [22] for the purpose of comparison.

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Y. El Bassem, M. El Adri, A. El Batoul et al. Nuclear Physics, Section A 1043 (2024) 122831

Fig. 2. Potential energy surfaces of 92−130 Mo obtained within CDFT framework with DD-ME2 sets.

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Y. El Bassem, M. El Adri, A. El Batoul et al. Nuclear Physics, Section A 1043 (2024) 122831

Fig. 3. Similar to Fig. 2, but using the DD-PC1 parametrization.

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Y. El Bassem, M. El Adri, A. El Batoul et al. Nuclear Physics, Section A 1043 (2024) 122831

Fig. 4. Binding energies per nucleon for 92−130 Mo isotopes.

Fig. 5. S2𝑛 for even-even Mo isotopes.

Fig. 6. Charge radii of Mo isotopes.

From Fig. 4 it’s evident that the theoretical predictions accurately reproduce the experimental data.
The neutron separation energy plays a crucial role in exploring the characteristics of nuclear shell structure. 𝑆2𝑛 is plotted in
Fig. 5 as a function of the neutron number 𝑁 , and this is compared with the experimental data from [22].
As evident from Fig. 5, the results from DD-ME2 and DD-PC1 align closely with the experimental data. The trend shows a gradual
decline of 𝑆2𝑛 with increasing neutron number 𝑁 , with a distinct and pronounced decrease occurring at 𝑁 = 82, signifying the
presence of a closed neutron shell at this magic number.
Charge radii are regarded as highly sensitive indicators when it comes to investigating structural evolution in nuclei. In Fig. 6,
the calculated charge radii within CDFT using DD-ME2 and DD-PC1 are presented alongside the existing experimental data [23]. It is
evident that a notable concordance between theory and experiment is observed. The gradual increase in charge radii as the neutron
number rises in Mo isotopes confirms the smooth transition of their ground states. Our results align with those reported in Ref. [9],
where a self-consistent mean-field approximation relying on the D1S-Gogny interaction was utilized.
The two-neutron shell gap, 𝛿2𝑛 = 𝑆2𝑛 (𝑁, 𝑍) − 𝑆2𝑛 (𝑁 + 2, 𝑍), is a more discerning observable for identifying the presence of a
shell closure. Fig. 7 displays the variation of 𝛿2𝑛 with respect to the neutron number 𝑁 . An obvious sharp peak in (𝛿2𝑛 ) is observed
at 𝑁 = 82, providing clear evidence of the shell closure at this neutron magic number.

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Y. El Bassem, M. El Adri, A. El Batoul et al. Nuclear Physics, Section A 1043 (2024) 122831

Fig. 7. Two-neutron shell gap 𝛿2𝑛 for 96−130

Mo isotopes.

5. Conclusion

In this research paper, we have examined the structural evolution in the Molybdenum isotopic chain (92−130 Mo) within the CDFT
framework. To carry out our study, we utilized two of the latest functionals available, namely, DD-PC1 and DD-ME2.
The analysis of the shape transition and shape coexistence is carried out by examining the evolution of the ground state shapes
obtained within the axial and triaxial potential energy surface calculations.
The transition from a spherical to a deformed shape is highly evident within the chain of Mo isotopes. At the beginning of the
isotopic chain, the ground state exhibits a spherical shape. However, as the number of neutrons increases, the shape undergoes a
smooth transition from oblate to triaxiality and then to the prolate deformation. Toward the end of the chain, the spherical shape
is regained. 106−110 Mo isotopes exhibit evident shape coexistence, characterized by the presence of a triaxial and an oblate axial
minimum.
The calculated ground state properties, including binding energy, two-neutron separation energy, charge radii, and two-neutron
shell gap, exhibit remarkable agreement with the corresponding experimental data.
The evolution of the physical properties displays a continuous and gradual change, which is in line with the smooth evolution of
the ground state deformation. A distinct and robust shell closure is visibly evident at 𝑁 = 82.

CRediT authorship contribution statement

Y. El Bassem: Conceptualization, Data curation, Formal analysis, Investigation, Writing – original draft, Writing – review &
editing. M. El Adri: Formal analysis, Visualization, Writing – original draft. A. El Batoul: Formal analysis, Visualization, Writing –
original draft. M. Oulne: Conceptualization, Supervision, Writing – original draft.

Declaration of competing interest

The authors declare that they have no known competing financial interests or personal relationships that could have appeared to
influence the work reported in this paper.

Data availability

No data was used for the research described in the article.

Acknowledgement

The computational resources utilized for this research were made available through HPC-MARWAN (hpc.marwan.ma), which is
provided by the National Center for Scientific and Technical Research (CNRST) in Rabat, Morocco.

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