{"title":"First Principles Exploration of N-V Point Defect Complexes in Graphane: Analysis of Energetic Stabilities and Electronic Properties","authors":"H. Mapingire, C. Fwalo, R. E. Mapasha","doi":"10.1007/s10773-025-05904-y","DOIUrl":"10.1007/s10773-025-05904-y","url":null,"abstract":"<div><p>In this study, we employ first principles calculations within the framework of density functional theory to comprehensively investigate the energetic stabilities and electronic properties of various nitrogen dopant-vacancy complexes: <i>N</i><sub><i>C</i></sub><i>V</i><sub><i>H</i></sub>, <i>N</i><sub><i>C</i></sub><i>V</i><sub><i>CH</i></sub>, <i>N</i><sub><i>CH</i></sub><i>V</i><sub><i>H</i></sub> and <i>N</i><sub><i>CH</i></sub><i>V</i><sub><i>CH</i></sub> in the graphane two-dimensional material. The creation of <i>N</i><sub><i>C</i></sub><i>V</i><sub><i>H</i></sub> and <i>N</i><sub><i>CH</i></sub><i>V</i><sub><i>H</i></sub> complexes require less energy than that of <i>N</i><sub><i>C</i></sub><i>V</i><sub><i>CH</i></sub> and <i>N</i><sub><i>CH</i></sub><i>V</i><sub><i>CH</i></sub>, according to the formation energy analysis. The binding energies analysis reveals that all the considered N-vacancy complexes are stable when compared to their isolated counterparts. Based on U-parameter values derivation, it is easier for <i>N</i><sub><i>CH</i></sub><i>V</i><sub><i>H</i></sub> complex (1.09 eV) to undergo transition from one charge state to another as compared to <i>N</i><sub><i>C</i></sub><i>V</i><sub><i>CH</i></sub> (2.52 eV). The N-vacancy complexes induce acceptor and donor states within the graphane band gap, which alters during transition states (0 to −1 or 0 to +1). This comparative study has provided fundamental insights into the possibilities of utilizing nitrogen-vacancy centers in graphane for band gap engineering and nano-technology tailored applications.</p></div>","PeriodicalId":597,"journal":{"name":"International Journal of Theoretical Physics","volume":"64 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10773-025-05904-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361763","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Solving New Potentials in Terms of Exceptional Orthogonal Polynomials and Their Supersymmetric Partners","authors":"Satish Yadav, Rahul Ghosh, Bhabani Prasad Mandal","doi":"10.1007/s10773-024-05854-x","DOIUrl":"10.1007/s10773-024-05854-x","url":null,"abstract":"<div><p>Point canonical transformation has been used to find out new exactly solvable potentials in the position-dependent mass framework. We solve 1-D Schrödinger equation in this framework by considering two different fairly generic position-dependent masses <span>((i) M(x)=lambda g'(x))</span> and <span>((ii) M(x) = c left( {g'(x)} right) ^nu )</span>, <span>(nu =frac{2eta }{2eta +1},)</span> with <span>(eta = 0,1,2cdots )</span>. In the first case, we find new exactly solvable potentials that depend on an integer parameter <i>m</i>, and the corresponding solutions are written in terms of <span>(X_m)</span>-Laguerre polynomials. In the latter case, we obtain a new one parameter <span>((nu ))</span> family of isochronous solvable potentials whose bound states are written in terms of <span>(X_m)</span>-Laguerre polynomials. Further, we show that the new potentials are shape invariant by using the supersymmetric approach in the framework of position-dependent mass.</p></div>","PeriodicalId":597,"journal":{"name":"International Journal of Theoretical Physics","volume":"64 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143361699","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Fatma Nur Kaya Sağlam, Bahadır Kopçasız, Kalim U. Tariq
{"title":"Optical Solitons and Dynamical Structures for the Zig-zag Optical Lattices in Quantum Physics","authors":"Fatma Nur Kaya Sağlam, Bahadır Kopçasız, Kalim U. Tariq","doi":"10.1007/s10773-025-05902-0","DOIUrl":"10.1007/s10773-025-05902-0","url":null,"abstract":"<div><p>This paper investigates the widely used Zig-zag optical lattice prototype for cold bosonic atoms. This prototype generally represents nonlinear waves in plasma physics and fluid mechanics. To obtain soliton solutions, two different techniques are used, the Kumar-Malik method and the improved F-expansion approach. These solutions include periodic, kink, combo dark-bright, bright, and dark types of soliton solutions. The conducted soliton solutions show that the approach is capable of identifying a wide range of wave patterns in nonlinear partial differential equation (NLPDE) models and is also compatible, effective, and scientifically efficient. Using the Maple software, 3D, contour, density and 2D structures were created for various values of the relevant parameters in order to do numerical simulations of the outcomes. To the best of our knowledge, no previous study has explored this equation to such an extent. All the solutions obtained are verified using the Maple software application, ensuring their accuracy and correctness.</p></div>","PeriodicalId":597,"journal":{"name":"International Journal of Theoretical Physics","volume":"64 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143362014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Christian de Ronde, Raimundo Fernández Mouján, César Massri
{"title":"Equivalence Relations in Quantum Theory: An Objective Account of Bases and Factorizations","authors":"Christian de Ronde, Raimundo Fernández Mouján, César Massri","doi":"10.1007/s10773-025-05903-z","DOIUrl":"10.1007/s10773-025-05903-z","url":null,"abstract":"<div><p>In orthodox Standard Quantum Mechanics (SQM) bases and factorizations are considered to define <i>quantum states</i> and <i>entanglement</i> in relativist terms. While the choice of a basis (interpreted as a measurement context) defines a state incompatible to that same state in a different basis, the choice of a factorization (interpreted as the separability of systems into sub-systems) determines wether the same state is entangled or non-entangled. Of course, this perspectival relativism with respect to reference frames and factorizations precludes not only the widespread reference to quantum particles but more generally the possibility of any rational objective account of a state of affairs in general. In turn, this impossibility ends up justifying the instrumentalist (anti-realist) approach that contemporary quantum physics has followed since the establishment of SQM during the 1930s. In contraposition, in this work, taking as a standpoint the logos categorical approach to QM —basically, Heisenberg’s matrix formulation without Dirac’s projection postulate— we provide an invariant account of bases and factorizations which allows us to to build a conceptual-operational bridge between the mathematical formalism and quantum phenomena. In this context we are able to address the set of equivalence relations which allows us to determine what is actually <i>the same</i> in <i>different bases</i> and <i>factorizations</i>.</p></div>","PeriodicalId":597,"journal":{"name":"International Journal of Theoretical Physics","volume":"64 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143184756","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Dirac Fermions with Electric Dipole Moment and Position-dependent Mass in the Presence of a Magnetic Field Generated by Magnetic Monopoles","authors":"R. R. S. Oliveira","doi":"10.1007/s10773-025-05901-1","DOIUrl":"10.1007/s10773-025-05901-1","url":null,"abstract":"<div><p>In this paper, we determine the bound-state solutions for Dirac fermions with electric dipole moment (EDM) and position-dependent mass (PDM) in the presence of a radial magnetic field generated by magnetic monopoles. To achieve this, we work with the <span>((2+1))</span>-dimensional (DE) Dirac equation with nonminimal coupling in polar coordinates. Posteriorly, we obtain a second-order differential equation via quadratic DE. Solving this differential equation through a change of variable and the asymptotic behavior, we obtain a generalized Laguerre equation. From this, we obtain the bound-state solutions of the system, given by the two-component Dirac spinor and by the relativistic energy spectrum. So, we note that such spinor is written in terms of the generalized Laguerre polynomials, and such spectrum (for a fermion and an antifermion) is quantized in terms of the radial and total magnetic quantum numbers <i>n</i> and <span>(m_j)</span>, and explicitly depends on the EDM <i>d</i>, PDM parameter <span>(kappa )</span>, magnetic charge density <span>(lambda _m)</span>, and on the spinorial parameter <i>s</i>. In particular, the quantization is a direct result of the existence of <span>(kappa )</span> (i.e., <span>(kappa )</span> acts as a kind of “external field or potential”). Besides, we also analyze the nonrelativistic limit of our results, that is, we also obtain the nonrelativistic bound-state solutions. In both cases (relativistic and nonrelativistic), we discuss in detail the characteristics of the spectrum as well as graphically analyze its behavior as a function of <span>(kappa )</span> and <span>(lambda _m)</span> for three different values of <i>n</i> (ground state and the first two excited states).</p></div>","PeriodicalId":597,"journal":{"name":"International Journal of Theoretical Physics","volume":"64 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143184757","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Luis Gerardo Romero Hernández, Jaime Manuel Cabrera, Ramón Eduardo Chan López, Jorge Mauricio Paulin Fuentes
{"title":"Singular Lagrangians and the Hamilton-Jacobi Formalism in Classical Mechanics","authors":"Luis Gerardo Romero Hernández, Jaime Manuel Cabrera, Ramón Eduardo Chan López, Jorge Mauricio Paulin Fuentes","doi":"10.1007/s10773-025-05887-w","DOIUrl":"10.1007/s10773-025-05887-w","url":null,"abstract":"<div><p>This work conducts a Hamilton-Jacobi analysis of classical dynamical systems with internal constraints. We examine four systems, all previously analyzed by David Brown: three with familiar components (point masses, springs, rods, ropes, and pulleys) and one chosen specifically for its detailed illustration of the Dirac-Bergmann algorithm’s logical steps. Including this fourth system allows for a direct and insightful comparison with the Hamilton-Jacobi formalism, thereby deepening our understanding of both methods. To provide a thorough analysis, we classify the systems based on their constraints: non-involutive, involutive, and a combination of both. We then use generalized brackets to ensure the theory’s integrability, systematically remove non-involutive constraints, and derive the equations of motion. This approach effectively showcases the Hamilton-Jacobi method’s ability to handle complex constraint structures. Additionally, our study includes an analysis of a gauge system, highlighting the versatility and broad applicability of the Hamilton-Jacobi formalism. By comparing our results with those from the Dirac-Bergmann and Faddeev-Jackiw algorithms, we demonstrate that the Hamilton-Jacobi approach is simpler and more efficient in its mathematical operations and offers advantages in computational implementation.</p></div>","PeriodicalId":597,"journal":{"name":"International Journal of Theoretical Physics","volume":"64 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107936","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Comparative Analysis of the Singularly Perturbed Generalized Burgers-Huxley Problem via Approximate Lie Symmetry and Exponentially Fitted Finite Element Method","authors":"Anjali Kwatra, Vivek Sangwan, Rajesh Kumar Gupta","doi":"10.1007/s10773-025-05882-1","DOIUrl":"10.1007/s10773-025-05882-1","url":null,"abstract":"<div><p>Singularly perturbed generalized Burgers-Huxley equation (SPGBHE) models nonlinear wave phenomena in fluid dynamics, combustion, and biological systems. This study addresses the solutions of SPGBHE through approximate Lie symmetry analysis (LSA) and finite element method (FEM), with rigorous comparison validating solutions obtained through both methodologies. The method of approximate symmetry, which involves expanding the infinitesimal generator in a perturbation series is implemented to solve the governing equation, yielding approximate infinitesimal generators essential for constructing the optimal system of Lie sub-algebra. A set of group invariant solutions is determined for each reduction derived from corresponding sub-algebras mentioned in the system. On the second part, exponentially fitted finite element method (EF-FEM) along with the explicit Euler scheme is implemented using a piecewise uniform Shishkin mesh to examine the equation from a numerical perspective. Stability and uniform convergence of outlined approach is discussed to provide credibility to the numerical scheme. Moreover, solutions derived through each technique are authenticated by firm comparison following a detailed error analysis, including error table and comparison plots. Visual representations of solution profiles for specific outcomes of LSA are also presented to see the impact of the singular perturbation parameter <span>((epsilon ))</span> alongside other parameters.</p></div>","PeriodicalId":597,"journal":{"name":"International Journal of Theoretical Physics","volume":"64 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143108242","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Thermodynamics on the Non-Commutative Dirac Oscillator with the Mie-Type Potential","authors":"M. Qolizadeh, S. M. Motevalli, S. S. Hosseini","doi":"10.1007/s10773-025-05893-y","DOIUrl":"10.1007/s10773-025-05893-y","url":null,"abstract":"<div><p>In this paper, we investigated the relativistic Dirac oscillator in commutative and noncommutative space. We solved this equation in an accurate analytical method and obtained the corresponding energy eigenvalues and eigenfunctions. Additionally, we examined the thermal properties of the N-fermion system, including the entropy, specific heat capacity, internal energy, and Helmholtz free energy. Furthermore, we demonstrated that in the limit θ → 0, the commutative result is recovered.</p></div>","PeriodicalId":597,"journal":{"name":"International Journal of Theoretical Physics","volume":"64 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Renormalization Group Approach for Modified vdP Oscillator with (mathcal{P}mathcal{T}) Symmetric Non-Hermitian Interaction","authors":"Biswajit Bhowmick, Rohit Mahendra Shinde, Bhabani Prasad Mandal","doi":"10.1007/s10773-025-05896-9","DOIUrl":"10.1007/s10773-025-05896-9","url":null,"abstract":"<div><p>We consider a modified version of the well-known 2d vdP oscillator with a new non-Hermitian interaction. The usual perturbative approach fails to provide the classical dynamics of the system as the classical solutions become divergent in the long time limit. These kinds of divergences are similar to what occurs in quantum field theory and critical phenomena. The Renormalization Group (RG) technique for the dynamical system has been used to eliminate the divergences in the perturbative solution of the 2d vdP oscillator and to provide a physically acceptable solution which is shown to be consistent with numerical study. We further investigate the model in the framework of non-Hermitian quantum mechanics to show the <span>(mathcal{P}mathcal{T})</span> phase transition in the system.</p></div>","PeriodicalId":597,"journal":{"name":"International Journal of Theoretical Physics","volume":"64 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107910","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Generalized (mathcal {Z})-Solitons on Magneto-Fluid Spacetimes in f(r)-Gravity","authors":"Shahroud Azami, Uday Chand De","doi":"10.1007/s10773-025-05900-2","DOIUrl":"10.1007/s10773-025-05900-2","url":null,"abstract":"<div><p>This research paper explores the characteristics of almost generalized <span>(mathcal {Z})</span>-solitons and almost gradient generalized <span>(mathcal {Z})</span>-solitons in the framework of magneto-fluid spacetime governed by <i>f</i>(<i>r</i>)-gravity. The investigation initiates with the derivation of the divergence of the almost generalized <span>(mathcal {Z})</span>-soliton vector field, articulated in relation to the scalar curvature pertinent to magneto-fluid spacetime in the context of <i>f</i>(<i>r</i>)-gravity. Following this, we employ the generalized <span>(mathcal {Z})</span>-soliton as a metric to delineate the essential conditions for the scalar curvature linked to this specific spacetime. Additionally, we determine the criteria under which the soliton can exhibit behaviors of shrinking, steady, or expanding.</p></div>","PeriodicalId":597,"journal":{"name":"International Journal of Theoretical Physics","volume":"64 2","pages":""},"PeriodicalIF":1.3,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109623","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}