Determination of thermodynamic properties of CrH, NiC and CuLi diatomic molecules with the linear combination of Hulthen-type potential plus Yukawa potential

In this work, we investigate the thermodynamic properties of CrH, NiC and CuLi diatomic molecules with a linear combination Hulthen and Yukawa potentials in the presence and absence of magnetic and Aharanov-Bohm (AB) fields. The Schrodinger equation in 3D and 2D were solved using the Nikiforov-Uvarov (NU) method and the exact quantization rule (EQR) respectively. To determine the thermodynamic properties for the selected diatomic molecules, we first used the energy spectrum to evaluate the partition function and other thermodynamic functions such as entropy, Helmholtz free energy, internal energy and specific heat capacity. In addition, it is found that in the classical limit, the specific heat capacity saturates for large values of the principal quantum number, nmax for the selected diatomic molecules at a fixed temperature except CrH. Our results can be applied to molecular physics and chemical physics

Non-relativistic Quark Model under External Magnetic and Aharanov-Bohm (AB) Fields in the Presence of Temperature-Dependent Confined Cornell Potential

The dissociation of quarkonia in a thermal QCD medium in the background of an AB and strong magnetic fields is investigated. For this purpose, the Schrdinger equation with a charged quarkonium in the Cornell potential under the influence of AB flux and an external magnetic fields directed along the z-axis is employed. By using the Nikiforov-Uvarov (NU) method, the energy eigenvalue is obtained. The effect of temperature, AB flux, and an external magnetic field is studied. The study shows that the dissociation energy of 1S states of charmonium and bottomonium decreases with increasing temperature and AB flux, and external magnetic field. Also, the quarkonium melts faster in a hot medium in the presence of AB flux and external magnetic field. We found that the charmonium melts at 13.79 mThe accepted manuscript in pdf format is listed with the files at the bottom of this page. The presentation of the authors' names and (or) special characters in the title of the manuscript may differ slightly between what is listed on this page and what is listed in the pdf file of the accepted manuscript; that in the pdf file of the accepted manuscript is what was submitted by the author

Effects of the confinement potential parameters and optical intensity on the linear and nonlinear optical properties of spherical quantum dots

We study the linear and nonlinear optical properties of a spherical GaAs quantum dot with screened modified Kratzer potential (SMKP) by solving the time-independent Schrödinger wave equation using the diagonalization method. The obtained electronic properties of the system alongside the compact density formalism are used to evaluate the linear, third-order nonlinear and total optical absorption coefficients and change in the relative refractive index of the system. We show that the confinement potential parameters and optical intensity significantly affects the behaviour of absorption coefficients and refractive index changes. It is important to note that the findings of this study will find application in optoelectronics and related areas

Magneto-transport and thermal properties of the Yukawa potential in cosmic string space-time

Yukawa potential has garnered remarkable attention since its proposition. It is applied in condensed matter physics, plasma physics, high energy physics and related areas. Based on this widespread applicability, this study focused on the analysis of the effects of topological defect on the thermal and magnetic properties of this system. Non-relativistic treatment of this potential in the presence of magnetic fields and Aharonov–Bohm is performed using the functional analytical approach (FAA). The energy equation and the wavefunction are analytically derived. The accessible energy levels are summed up to obtain to get the partition function that is used to derive the expressions for the thermo-magnetic properties of the Yukawa potential. These properties are analysed in detail by means of graphical representations. It is observed that in the various settings of the analysis, the system has a diamagnetic characteristic and the behaviour of the heat capacity is in accordance with the recognized law of Dulong–Petit, although some anomalies are observed. This irregular behaviour could be attributed to Schottky anomaly. The results of our research will be helpful in many fields of physics: condensed matter physics, high energy physics, etc

Superstatistics of Schrödinger equation with pseudo-harmonic potential in external magnetic and Aharanov-Bohm fields

In this work, the thermodynamic properties of pseudo-harmonic potential in the presence of external magnetic and Aharanov-Bohm fields are investigated. The effective Boltzmann factor in the superstatistics formalism was used to obtain the thermodynamic properties such as Helmholtz free energy, Internal energy, entropy and specific heat capacity of the system. In addition, the thermal properties of some selected diatomic molecules of N-2, Cl-2, I-2 and CH using their experimental spectroscopic parameters and the effect of varying the deformation parameter of q = 0, 0.3, 0.7 were duly examined.Publisher's Versio

Recent advances in density functional theory approach for optoelectronics properties of graphene

Graphene has received tremendous attention among diverse 2D materials because of its remarkable properties. Its emergence over the last two decades gave a new and distinct dynamic to the study of materials, with several research projects focusing on exploiting its intrinsic properties for optoelectronic devices. This review provides a comprehensive overview of several published articles based on density functional theory and recently introduced machine learning approaches applied to study the electronic and optical properties of graphene. A comprehensive catalogue of the bond lengths, band gaps, and formation energies of various doped graphene systems that determine thermodynamic stability was reported in the literature. In these studies, the peculiarity of the obtained results reported is consequent on the nature and type of the dopants, the choice of the XC functionals, the basis set, and the wrong input parameters. The different density functional theory models, as well as the strengths and uncertainties of the ML potentials employed in the machine learning approach to enhance the prediction models for graphene, were elucidated. Lastly, the thermal properties, modelling of graphene heterostructures, the superconducting behaviour of graphene, and optimization of the DFT models are grey areas that future studies should explore in enhancing its unique potential. Therefore, the identified future trends and knowledge gaps have a prospect in both academia and industry to design future and reliable optoelectronic devices

Relativistic and non-relativistic thermal properties with bound and scattering states of the Klein-Gordon equation for Mobius square plus generalized Yukawa potentials

Abstract The effects of temperature and upper bound vibrational quantum number on the thermodynamic properties of Mobius square plus generalized Yukawa potential model are investigated within the framework of both relativistic and nonrelativistic quantum mechanics using the Nikiforov-Uvarov-Functional Analysis method with Greene-Aldrich approximation to the centrifugal term. The energy eigen equation obtained for both relativistic and nonrelativistic cases were presented in a closed and compact form and applied to study partition function and other thermodynamic properties as applied to both cases. Also, the normalized wave functions of the combined potential models expressed in terms of hypergeometric function of Jacobi polynomial were studied at the ground, first and second excited states for various quantum states with various selected screening parameters. The numerical bound state solution obtained for various screening parameter increases with an increase in quantum state while the numerical scattering state solution fluctuates between small and larger numerical values with an increase in orbital angular quantum number. To ascertain the degree of accuracy of our work, the thermodynamic plots obtained for the nonrelativistic case were in excellent agreement to work of existing literature