Scientific Reports

Magneto-transport and Thermal properties of TiH diatomic molecule under the influence of magnetic and Aharonov-Bohm (AB) fields

Collins Okon Edet, Reza Khordad, E. B. Ettah, Syed Alwee Aljunid, R. Endut, Norshamsuri Ali, Muhammad Asjad, P. O. Ushie, A. N. Ikot

Published Sep 14, 2022• 21 citations

Publisher

Abstract

In this study, the effects of Aharonov-Bohm (AB) and magnetic fields on the thermodynamic and magneto-transport properties of TiH diatomic molecule using the Deng-Fan potential as a model are investigated. The functional analysis approach (FAA) is used to solve the Schrodinger equation in the presence of magnetic and AB fields with Deng-Fan potential. The energy equation, as well as the wave function, have been derived. The analytic expressions for the thermo-magnetic and transport properties of the Deng-Fan potential are derived using the energy equation and the partition function. These properties obtained are thoroughly analysed utilising graphical representations. Our analysis shows that the magnetic susceptibility of the TiH exhibits a diamagnetic behaviour, and the specific heat capacity behaviour agrees with the famous Dulong-Petit law when the system is subjected to AB field variations and a fixed magnetic field. Albeit, a slight anomaly is observed in the behaviour of the specific heat capacity. Our findings will be valuable in various fields of physics, including chemical and molecular physics and condensed matter physics, where the derived models could be applied to study other diatomic molecules and quantum dots, respectively.

DOI: 10.1038/s41598-022-19396-x

Related papers

Magnetic Properties of Titanium Hydride (TiH) Diatomic Molecule with Modified Kratzer Energy-Dependent Screened Coulomb Potential in the Presence of Magnetic and Aharonov-Bohm Flux Fields

Sunday Danladi Ishaya, Yerima Jabil Yakubu, Davou Christopher Lawrence

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.

Nigerian Journal of PhysicsJan 30, 20260 citations

Thermo-Magnetic properties of Two-Dimensional Non-Relativistic Schrödinger Equation for the Attractive Radial Potential under External Magnetic and Aharonov-Bohm Flux Fields

M. H. Imrana, Adamu Z. Ngari, Peter Teru +4 more

We investigate the thermo-magnetic properties of the Attractive Radial Potential (ARP) for a particle moving in two-dimensional non-relativistic Schrödinger equation subjected to an external magnetic field and Aharonov-Bohm (AB) flux. Analytical solution for the energy eigenvalues and wavefunctions were obtained in a closed form via the Nikiforov-Uvarov Functional Analysis (NUFA) method. We derived the partition function by analyzing the system as a canonical ensemble to obtain the expressions for the thermodynamic quantities which include the free energy, entropy, specific heat capacity and internal energy. Our results show a decrease in the energy spectrum when the AB flux and magnetic fields are increased. At low temperatures, specific heat capacity shows a peak anomaly, while Helmholtz free energy and entropy exhibit temperature dependence. We also observed that AB flux and magnetic field influence both magnetization and magnetic susceptibility and exhibit both paramagnetic and diamagnetic behavior. The findings provide valuable insights into in molecular physics applications.

Nigerian Journal of Theoretical and Environmental PhysicsDec 31, 20250 citations

Numerical Study of Thermodynamic Properties of Screened Kratzer-Eckart Potential with External Magnetic Field

Firda Nur Setyanto, Briant Sabathino Harya Wibawa, Suparmi Suparmi +2 more

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.

Journal of Physics Conference SeriesJan 1, 20250 citations

Aharonov–Bohm (AB) flux and thermomagnetic properties of Hellmann plus screened Kratzer potential as applied to diatomic molecules using Nikiforov–Uvarov-Functional-Analysis (NUFA) method

I. B. Okon, C. A. Onate, E. Omugbe +9 more

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.

Molecular PhysicsMar 4, 202235 citations

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 +5 more

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.

International Journal of Quantum ChemistryMay 9, 202215 citations

MAGNETIC PROPERTIES OF TITANIUM CARBIDE (TIC) DIATOMIC MOLECULE UNDER THE INFLUENCE OF MAGNETIC AND AHARONOV–BOHM FLUX FIELDS AT FINITE TEMPERATURE

N. IBRAHIM, U. S. Okorie, A. ADAMU +1 more

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.

Dec 30, 20250 citations