{"title":"Sc- and Ti-doped silicon carbide nanotubes for NH3 sensing and storage applications: a DFT approach","authors":"Banchob Wanno, Thanawat Somtua, Anucha Naowanit, Narin Panya, Wandee Rakrai, Chatthai Kaewtong, Chanukorn Tabtimsai","doi":"10.1140/epjb/s10051-024-00763-8","DOIUrl":"10.1140/epjb/s10051-024-00763-8","url":null,"abstract":"<div><p>Ammonia (NH<sub>3</sub>) is highly hazardous gases, thus the investigation for a highly sensitive sensor of NH<sub>3</sub> molecule is desirable. The adsorptions of NH<sub>3</sub> molecule on Sc and Ti atoms doped silicon carbide nanotube (SiCNT) were investigated by using density functional theory calculation. The adsorption energies, adsorption distances, energy gaps, chemical hardness and softness, orbital distributions, charge transfers and density of states were examined. The calculated results display that NH<sub>3</sub> molecules can be adsorbed on the pristine SiCNT via a weak physical interaction, which is much weaker than those of NH<sub>3</sub> adsorption on Sc and Ti-doped SiCNTs. All of Sc and Ti-doped SiCNTs can absorb single and multiple NH<sub>3</sub> molecules with the greatest adsorption energy of − 41.56 kcal/mol for NH<sub>3</sub>/Ti<sub>Si</sub>–SiCNT system. In addition, there are shorter adsorption distance and larger charge transfer for Sc- and Ti-doped SiCNTs than that of pristine SiCNT with NH<sub>3</sub> molecule. The orbital distributions are occurred around the doping site may be due to the strong interaction between NH<sub>3</sub> and SiCNT. The energy gaps of Sc- and Ti-doped SiCNTs have much more significant change than that of pristine SiCNT in which 2NH<sub>3</sub>/Ti<sub>C</sub>–SiCNT show the largest change of energy gap about 22% compared with bare Ti<sub>C</sub>–SiCNT. The density of states of Sc- and Ti-doped SiCNTs show significant shift than that of pristine SiCNT which the new impurity states near the − 2.5 eV is occurred. The chemical hardness and softness illustrate the enhancement stability and decreased the reactivity. A short recovery times and suitable desorption temperatures are observed for the NH<sub>3</sub> desorption on Sc- and Ti-doped SiCNT surface. Therefore, sensitivity to NH<sub>3</sub> molecule of Sc- and Ti-doped SiCNTs is a promising candidate for highly sensitive gas sensing and storage nanomaterials.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 9","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211424","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}
T. D. Ibragimov, O. B. Tagiyev, E. G. Asadov, I. S. Ramazanova
{"title":"Influence of barrier discharge plasma on thermophysical, dielectric, conductivity and photoluminescence properties of low-density polyethylene doped with CaGa2S4:Eu2+","authors":"T. D. Ibragimov, O. B. Tagiyev, E. G. Asadov, I. S. Ramazanova","doi":"10.1140/epjb/s10051-024-00774-5","DOIUrl":"10.1140/epjb/s10051-024-00774-5","url":null,"abstract":"<div><p>The effect of barrier discharge plasma on the thermophysical, dielectric, conductivity and photoluminescent properties of CaGa<sub>2</sub>S<sub>4</sub>:Eu<sup>2+</sup>doped low-density polyethylene have been investigated. It is shown that the enthalpy and entropy of melting and solidification decrease sharply with the inclusion of filler (3 vol%) and then increase with increasing filler concentration. At the same time, these physical quantities increases in all cases after exposure to the gas discharge. This increase is negligible for pure polyethylene, but significant for composites. With increasing filler concentration, the dielectric permittivity increases and agrees well with the Maxwell–Garnett theory. It is shown that the conductivity has a hopping character and mainly increases with increasing filler concentration. Dielectric permittivity increases and conductivity as well as photoluminescence decrease after the action of gas discharge.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 9","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211433","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":"Peculiarities of TP-e.m.f. caused by the heating of charge carriers by an electric field in a layered semiconductor n-InSe","authors":"T. G. Naghiyev, R. F. Babayeva, A. S. Abiyev","doi":"10.1140/epjb/s10051-024-00771-8","DOIUrl":"10.1140/epjb/s10051-024-00771-8","url":null,"abstract":"<div><p>The effect of the external and intracrystalline factors (temperature, light, and the magnitude of the initial dark resistivity of the sample, electric field, chemical nature, and amount of the impurities) on the main characteristics of layered n-InSe crystals was investigated. The thermophoto-e.m.f. (TP-e.m.f.) was observed due to the heating of free charge carriers by an electric field. It has been established that the obtained experimental results differ significantly from spatially homogeneous semiconductors. This deviation increases with an increase in the value of the initial dark resistivity of the sample (<i>ρ</i><sub>D0</sub>) which depends nonmonotonically on the concentration of the impurity (<i>N</i><sub>REE</sub>). Undoped (with the lowest <i>ρ</i><sub>D0</sub>) and rare-earth-doped (<i>N</i><sub>REE</sub> ≥ 5·10<sup>–2</sup> at.%) samples were studied under all conditions, as well as at high <i>T</i><sub>0</sub> and <i>I</i><sub>0</sub>, and it was determined that the TP-e.m.f. characteristics of hot current carriers (HCC) are the most stable and reproducible. The obtained results satisfactorily correlate with the provisions of the theory of TP-e.m.f. of HCC in spatially homogeneous semiconductors. The dependence of the characteristics of TP-e.m.f. of HCC from <i>ρ</i><sub>D0</sub> and <i>N</i><sub>REE</sub> clearly explains the deviations compared to spatially homogeneous semiconductors considering the presence of random macroscopic defects in the samples.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 9","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142227917","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}
Teo Victor Silva, Sebastián Gonçalves, Bruno Requião da Cunha
{"title":"Bounded confidence opinion dynamics with Asch-like social conformity in complex networks","authors":"Teo Victor Silva, Sebastián Gonçalves, Bruno Requião da Cunha","doi":"10.1140/epjb/s10051-024-00762-9","DOIUrl":"10.1140/epjb/s10051-024-00762-9","url":null,"abstract":"<p>Computational models of peer interaction, with or without networks, have been applied to opinion dynamics to describe social phenomena. Here, we use the Deffuant–Weisbuch (DW) model of opinion dynamics, where a confidence parameter bounds individuals’ interactions, both in paradigmatic artificial networks and some social networks. The interaction of an individual with their immediate neighbors is incorporated into the model using Asch’s concept of social conformity. In general, conformity facilitates consensus in networks by reducing the time required to reach a state of equilibrium and by increasing the likelihood of a single opinion value prevailing throughout the network. In real networks, a higher probability of adherence (<span>(p_{Asch}=0.6)</span>) to the majority opinion increases the proportion of individuals in consensus within less tolerant networks (<span>(d<0.5)</span>). Conformity leads to more nodes agreeing around the same average opinion in a shorter time.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 9","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211426","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":"Typicality, entropy and the generalization of statistical mechanics","authors":"Bernat Corominas-Murtra, Rudolf Hanel, Petr Jizba","doi":"10.1140/epjb/s10051-024-00764-7","DOIUrl":"10.1140/epjb/s10051-024-00764-7","url":null,"abstract":"<p>When at equilibrium, large-scale systems obey conventional thermodynamics because they belong to microscopic configurations (or states) that are <i>typical</i>. Crucially, the typical states usually represent only a small fraction of the total number of possible states, and yet the characterization of the set of typical states—the <i>typical set</i>—alone is sufficient to describe the macroscopic behavior of a given system. Consequently, the concept of typicality, and the associated <i>Asymptotic Equipartition Property</i> allow for a drastic reduction of the degrees of freedom needed for system’s statistical description. The mathematical rationale for such a simplification in the description is due to the phenomenon of <i>concentration of measure</i>. The later emerges for equilibrium configurations thanks to very strict constraints on the underlying dynamics, such as weekly interacting and (almost) independent system constituents. The question naturally arises as to whether the concentration of measure and related typicality considerations can be extended and applied to more general complex systems, and if so, what mathematical structure can be expected in the ensuing generalized thermodynamics. In this paper, we illustrate the relevance of the concept of typicality in the toy model context of the “thermalized” coin and show how this leads naturally to Shannon entropy. We also show an intriguing connection: The characterization of typical sets in terms of Rényi and Tsallis entropies naturally leads to the free energy and partition function, respectively, and makes their relationship explicit. Finally, we propose potential ways to generalize the concept of typicality to systems where the standard microscopic assumptions do not hold.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 8","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211428","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":"Quantum engineering for compactly localized states in disordered Lieb lattices","authors":"Carlo Danieli, Jie Liu, Rudolf A. Römer","doi":"10.1140/epjb/s10051-024-00745-w","DOIUrl":"10.1140/epjb/s10051-024-00745-w","url":null,"abstract":"<p>Blending ordering within an uncorrelated disorder potential in families of 3D Lieb lattices preserves the macroscopic degeneracy of compact localized states and yields unconventional combinations of localized and delocalized phases—as shown in Liu et al. (Phys Rev B 106:214204, 2022). We proceed to reintroduce translation invariance in the system by further ordering the disorder, and discuss the spectral structure and eigenstates features of the resulting perturbed lattices. We restore order in steps by first (i) rendering the disorder binary—i.e., yielding a randomized checkerboard potential, then (ii) reordering the randomized checkerboard into an ordered one, and at last (iii) realigning all the checkerboard values yielding a constant potential shift, but only on a sub-lattice. Along this path, we test the influence of additional random impurities on the order restoration. We find that in each of these steps, about half of the dispersive states are projected upon the unperturbed sites hosting the degenerate compact states, while the remaining ones are localized in the perturbed sites with energy determined by the strength of checkerboard. This strategy, herewith implemented in the 3D Lieb lattice, highlights order restoration as experimental pathway to engineer spectral and states features in disordered lattice structures in the pursuit of quantum storage and memory applications.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 8","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1140/epjb/s10051-024-00745-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211427","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":"Shot noise in Majorana bound state modulated double-quantum-dot interferometer connected to normal and superconductive terminals","authors":"Wei-Ke Zou, Qing Wang, Hong-Kang Zhao","doi":"10.1140/epjb/s10051-024-00765-6","DOIUrl":"10.1140/epjb/s10051-024-00765-6","url":null,"abstract":"<p>The mesoscopic transport through double-quantum-dot (DQD) Aharonov–Bohm (AB) interferometer coupled with Majorana bound states (MBSs), as well as normal and superconductive terminals has been investigated. The current, shot noise and Fano factor have been calculated versus AB phase and source-drain bias (<i>eV</i>). The calculated Fano factor <i>F</i> displays explicit features of MBSs through its AB oscillations and source-drain bias characteristics. The sinusoid and multi-peak <span>(4pi )</span>-periodic oscillations are exhibited versus AB phase due to modifying the DQD levels and coupling constants. Significant peak-valley structures of Fano factor contributed by Andreev reflections and MBSs exhibit in small source-drain bias region. The Fano factor is suppressed by increasing the coupling strengths <span>(lambda _i)</span> (<span>( i=1,2)</span>) of MBSs with DQD, while it is enhanced by increasing the coupling energy (<span>(varepsilon _{M})</span>) between two MBSs. For the case as <span>(varepsilon _{M}ne 0)</span>, a specific value around <span>(Fapprox 2)</span> is reached for different <span>(lambda _i)</span> as <span>(eVrightarrow 0)</span>. While for the case as <span>(varepsilon _{M}=0)</span>, small values around <span>(Fapprox 0)</span> are presented due to setting different coupling constants <span>(lambda _i)</span> as <span>(eVrightarrow 0)</span>.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 8","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226640","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}
E. M. Jalal, H. Saadi, A. Hasnaoui, A. Lafhal, N. Hachem, M. El Bouziani
{"title":"Critical and reentrant phenomena in the Blume–Emery–Griffiths model with attractive biquadratic interaction","authors":"E. M. Jalal, H. Saadi, A. Hasnaoui, A. Lafhal, N. Hachem, M. El Bouziani","doi":"10.1140/epjb/s10051-024-00767-4","DOIUrl":"10.1140/epjb/s10051-024-00767-4","url":null,"abstract":"<p>Using the mean field approximation based on the Bogoliubov inequality for free energy, we investigate the effects of the biquadratic exchange interaction on the critical behavior and phase diagram of the mixed spin (1,2) Blume–Emery–Griffiths model. We first focus on a specific case of the model: when the interaction parameter <span>(K=0)</span>, corresponding to the Blume–Capel model. For the attractive Blume–Emery–Griffiths model, we present the phase diagram in the temperature-crystal field plane. The phase diagram is significantly influenced by the value of the biquadratic exchange interaction <i>K</i>. For small values of <i>K</i>, similar to the Blume–Capel model, the phase diagram exhibits first and second order phase transition lines separating ordered and disordered phases, with a tricritical point marking the boundary between these regions. As <i>K</i> increases, the phase diagram changes significantly, with the appearance of reentrant and double reentrant phenomena.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 8","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211431","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}
A. T. Apostolov, I. N. Apostolova, J. M. Wesselinowa
{"title":"Band gap of ion-doped La(_2)NiMnO(_6) nanoparticles","authors":"A. T. Apostolov, I. N. Apostolova, J. M. Wesselinowa","doi":"10.1140/epjb/s10051-024-00769-2","DOIUrl":"10.1140/epjb/s10051-024-00769-2","url":null,"abstract":"<p>We have studied theoretically the magnetization <i>M</i> and the band gap energy <span>(E_g)</span> in dependence on temperature, size and ion doping concentration in the double perovskite La<span>(_2)</span>NiMnO<span>(_6)</span> (LNMO)—bulk and nanoparticles. LNMO is a ferromagnetic semiconductor. Therefore, it is appropriate to use for describing its properties the <span>(s-d(f))</span> model. The method for the calculation of <i>M</i> and <span>(E_g)</span> is the Green’s function theory within we are able to make a finite temperature analysis of the excitation spectrum and of all physical quantities. The temperature-dependent Matsubara Green’s function formalism can be used for describing the temperature-dependent behavior of realistic systems in thermal equilibrium. <i>M</i> increases with decreasing the nanoparticle size. <span>(E_g)</span> decreases with increasing temperature. For nanoparticles, it is smaller than that of bulk LNMO. Doping with Sr ions at the La site reduces <i>M</i> and enhances <span>(E_g)</span>. The band gap decreases by Sc ion doping at the La site. The substitution with different ions at the Ni site can also tune <span>(E_g)</span>. For example, doping with Fe or Sc ion increases <span>(E_g)</span>, whereas by Co, doping <span>(E_g)</span> decreases. Substitution by the same ion at different sites, A or B (La or Ni) leads to different behavior of the band gap. It is shown that Sr-, Ba-, Ca-, and Y-doped LNMO NPs with a band gap of <span>(sim )</span> 1.4 eV are appropriate for application in solar cells. Comparison to the existing experimental data is made.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 8","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211429","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":"A new memristive map neuron, self-regulation and coherence resonance","authors":"Binchi Wang, Xiaofeng Zhang, Zhigang Zhu, Guodong Ren","doi":"10.1140/epjb/s10051-024-00760-x","DOIUrl":"10.1140/epjb/s10051-024-00760-x","url":null,"abstract":"<div><p>Activation of firing patterns requires continuous energy exchange between magnetic and electric field in the neurons. Complexity of ion channels supports energy diversity among capacitive, inductive and memristive channel, and then the Calcium, sodium and potassium flows are pumped and diffused to trigger suitable firing modes in the neural activities. In this work, a magnetic flux-controlled memristor connected with an inductor in series is used to describe the physical effect of propagated ions, and an additive nonlinear resistor and a capacitor are connected to design a simple neural circuit. A memristive neuron model is suggested for dynamical analysis and energy description. Furthermore, linear transformation including time scale is used to convert this memristive oscillator into an equivalent memristive map. Energy function is given for this memristive map and an adaptive control law is used to control the mode transition in this map neuron. Furthermore, coherence resonance is discussed under noisy disturbance.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 8","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142227916","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}