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International Journal of Quantum Chemistry

Analyzing the effects of magnetic and Aharonov‐Bohm ( AB ) flux fields on the energy spectra and thermal properties of N2 , NO , CO and H2 diatomic molecules

Eddy Sunday William, I. B. Okon, Okpo O. Ekerenam, Ita O. Akpan, B. I. Ita, Etido Patrick Inyang, Iniobong P. Etim, Inemesit F. Umoh

Published May 9, 2022• 15 citations
Publisher

Abstract

Abstract The influence of external magnetic and Aharonov‐Bohm (AB) flux fields on the energy spectra and thermal properties of N2, NO, CO and H2 diatomic molecules are investigated in this study. The two‐dimensional Schrödinger equation is solved with the Varshni‐screened Coulomb potential (VSCP) model using the well‐known Nikiforov‐Uvarov (NU) method. We obtained the energy eigenvalues and wavefunctions of the system and calculated the energy levels of some diatomic molecules in the m‐arbitrary state in the presence and absence of external magnetic and AB flux fields. The results show that combining the magnetic and AB flux fields eliminates degeneracy. We analyzed and plotted the partition function and other thermal properties in the presence of a magnetic field, an AB field, and a temperature‐dependent term.

DOI
10.1002/qua.26925

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Abstract The influence of external magnetic and Aharonov‐Bohm (AB) flux fields on the energy spectra and thermal properties of N2, NO, CO and H2 diatomic molecules are investigated in this study. The two‐dimensional Schrödinger equation is solved with the Varshni‐screened Coulomb potential (VSCP) model using the well‐known Nikiforov‐Uvarov (NU) method. We obtained the energy eigenvalues and wavefunctions of the system and calculated the energy levels of some diatomic molecules in the m‐arbitrary state in the presence and absence of external magnetic and AB flux fields. The results show that combining the magnetic and AB flux fields eliminates degeneracy. We analyzed and plotted the partition function and other thermal properties in the presence of a magnetic field, an AB field, and a temperature‐dependent term.
In this work, we study an approximate bound state solution of a 2D Schrodinger equation under the influence of external magnetic and Aharonov–Bohm (AB) fields with Hellmann plus screened Kratzer potential (HPSKP) using the Nikiforov–Uvarov-functional- analysis method (NUFA). We obtained the normalised wave function expressed in terms of the Jacobi polynomial. The energy spectra were also obtained in closed form and used to study the energy levels of hydrogen and chromium hydride molecules. The partition function was evaluated using Poisson’s summation approach while other thermomagnetic properties such as free energy, mean energy, entropy, heat capacity, magnetisation, magnetic susceptibility, persistent current at zero and finite temperatures were evaluated analytically.
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In this study, the modified Kratzer energy-dependent screened Coulomb potential is analyzed in the presence of external magnetic and Aharonov–Bohm (AB) flux fields. The Schrödinger equation is solved using the Nikiforov–Uvarov Functional Analysis (NUFA) method, yielding closed-form expressions for the energy eigenvalues and the corresponding wavefunctions. These solutions are applied to investigate the magnetic properties of the titanium hydride (TiH) diatomic molecule, including the partition function, magnetization, magnetic susceptibility, and persistent current. The effects of the slope parameter are examined in detail and found to play a significant role in controlling the magnitude, ordering, and convergence behavior of all magnetic observables. Negative slope values enhance the magnetic and thermodynamic responses of the system, while positive slope values suppress them, with the zero-slope case acting as an intermediate regime. The magnetic field induces divergence and saturation effects, whereas the AB-flux field governs sharp transitions, minima, and convergence characteristics. Overall, the results demonstrate that both the slope parameter and external fields provide effective mechanisms for tuning the magnetic behavior of the TiH diatomic molecule.
In this study, the influence of magnetic and Aharonov–Bohm (AB) flux fields on the magnetic properties of the Titanium Carbide (TiC) diatomic molecule at finite temperature is investigated. Using the generalized cosine Yukawa potential within the framework of the Nikiforov–Uvarov Functional Analysis (NUFA) method, the energy eigenvalue and the corresponding energy eigenfunction as well as the partition functions were obtained. Based on these, temperature-dependent magnetization, magnetic susceptibility, and persistent current were evaluated. The results show that magnetization increases with both magnetic field strength and AB flux, but decreases with temperature due to enhanced thermal agitation that disrupts magnetic dipole alignment. Similarly, magnetic susceptibility and persistent current diminish with temperature but exhibit higher magnitudes at stronger field intensities. These behaviors are consistent with Curie-like paramagnetism and agree with previous findings on related diatomic systems.
In this article, the Varshni potential is analyzed taking into consideration the effects of magnetic and AB flux fields within the non-relativistic regime using the Nikiforov-Uvarov-Functional Analysis method (NUFA) method. The energy equation and wave function of the system are obtained in close form. We find that the entirety of effects of these fields removes degeneracy as a consequence and raises the bound state energy of the system. More so, it could be deduced that to regulate the energy spectra of this system, the AB-flux and magnetic field will do so greatly. The results from this study can be applied in condensed matter physics, atomic and molecular physics.
Abstract Attempts to understand the behaviour of various quantum systems are still become interest for many researchers in recent years. While experimentation is too complicated to be done, analytical mathematical approach is become a reliable choice. This approach is using potential functions or models as representations of the real quantum system, such as physical force interactions within a molecule. In this study, the new combination model of screened Kratzer and screened Eckart potentials is investigated under the non-relativistic quantum mechanics framework. These potentials are well-suited for modelling atomic interactions in diatomic molecules. The primary objective is to examine how these interactions are affected by the presence of external magnetic fields. Using a specific form of the Schro dinger equation, both the energy eigenfunction and the wave function have been derived. The Nikiforov-Uvarov Functional Analysis (NUFA) method was employed for this derivation. Additionally, several thermodynamic properties were obtained from the energy equation using numerical methods. Selected diatomic molecule data were used in the computations to demonstrate the effect of the magnetic field. A detailed analysis was performed through graphical representations, revealing that an increase in the magnetic field or the associated Aharonov-Bohm (AB) flux enhances and splits the energy spectra. The effects on thermodynamic properties vary across different molecules and conditions, but overall, the magnetic field increases the thermodynamic properties of the molecules.