Physica B-condensed Matter最新文献_第10页

Arsenic-stabilized magnetic helicoid in FeP0.9As0.1

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-30 DOI: 10.1016/j.physb.2024.416792

A.V. Tkachev , S.V. Zhurenko , A.V. Gunbin , A.V. Koshelev , I.V. Morozov , I.G. Silkin , A.A. Gippius

引用次数: 0

EPR spectroscopic characterization of neutron-irradiated nanocrystalline anatase particles

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-30 DOI: 10.1016/j.physb.2024.416786

Elchin M. Huseynov , Efsane A. Huseynova , Anze Jazbec

{"title":"EPR spectroscopic characterization of neutron-irradiated nanocrystalline anatase particles","authors":"Elchin M. Huseynov , Efsane A. Huseynova , Anze Jazbec","doi":"10.1016/j.physb.2024.416786","DOIUrl":"10.1016/j.physb.2024.416786","url":null,"abstract":"<div><div>This study investigates the effects of neutron irradiation on nanocrystalline anatase (TiO₂) using electron paramagnetic resonance (EPR) spectroscopy. Neutron irradiation doses of 1.6 × 10<sup>1</sup>⁵, 8 × 10<sup>1</sup>⁵, 4 × 10<sup>1</sup>⁶, and 2 × 10<sup>1</sup>⁷ n/cm<sup>2</sup> were applied to TiO₂ samples, and changes in the EPR spectra were analyzed to explore the transmutation of titanium (Ti) atoms into vanadium (V). The results reveal that the irradiation induces the conversion of <sup>50</sup>Ti to <sup>51</sup>V via neutron capture, accompanied by the formation of oxygen and titanium vacancies. The intensity of the EPR signal decreases with increasing neutron dose, indicating that the formation of <sup>51</sup>V isotopes and other irradiation-induced effects influence the material's paramagnetic behavior. The study provides insights into the transmutation process and highlights the potential of neutron irradiation for modifying the properties of TiO₂, with implications for photocatalytic applications and radiation-resistant materials.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416786"},"PeriodicalIF":2.8,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

引用次数: 0

Informational analysis of the confinement of an electron in an asymmetric double quantum dot

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-30 DOI: 10.1016/j.physb.2024.416769

W.S. Nascimento , A.M. Maniero , F.V. Prudente , C.R. de Carvalho , Ginette Jalbert

{"title":"Informational analysis of the confinement of an electron in an asymmetric double quantum dot","authors":"W.S. Nascimento , A.M. Maniero , F.V. Prudente , C.R. de Carvalho , Ginette Jalbert","doi":"10.1016/j.physb.2024.416769","DOIUrl":"10.1016/j.physb.2024.416769","url":null,"abstract":"<div><div>A <em>quasi-</em>unidimensional one-electron double quantum dot is studied within the framework of Shannon informational entropy. Its confinement potential, which is described by an asymmetric harmonic-gaussian function, consists of two wells separated by a potential barrier, and the asymmetry of the potential in respect to the center of the barrier is parameterized by <span><math><msub><mrow><mi>x</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span>. In this work we employ Shannon informational entropy as a tool to investigate changes in the electronic confinement resulting from the modifications in the degree of asymmetry <span><math><msub><mrow><mi>x</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span>. In particular, we notice that Shannon entropy turns out to be very sensitive to the change from the symmetric to the antisymmetric regime. Moreover, we show that Shannon entropy as a function of <span><math><msub><mrow><mi>x</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> for an electronic excited state displays an irregular behavior whenever the state energy is in the vicinity of a local extreme (a maximum or a minimum); connected with this we observe an oscillatory behavior of the energy of the excited states as a function of <span><math><msub><mrow><mi>x</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span>.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416769"},"PeriodicalIF":2.8,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

引用次数: 0

Nonlinear optical properties of glassy TeO2: ab initio modeling of χ(3) and Hyper Raman spectra

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-29 DOI: 10.1016/j.physb.2024.416768

Evgenii M. Roginskii , Raghvender Raghvender , Olivier Noguera , Philippe Thomas , Olivier Masson , Assil Bouzid

{"title":"Nonlinear optical properties of glassy TeO2: ab initio modeling of χ(3) and Hyper Raman spectra","authors":"Evgenii M. Roginskii , Raghvender Raghvender , Olivier Noguera , Philippe Thomas , Olivier Masson , Assil Bouzid","doi":"10.1016/j.physb.2024.416768","DOIUrl":"10.1016/j.physb.2024.416768","url":null,"abstract":"<div><div>The nonlinear optical properties of amorphous tellurium oxide is studied in a framework of computational technique based on the <em>ab initio</em> quantum-chemical calculations. The calculated values of refractive index and third-order nonlinear susceptibility are in a very good agreement with experimental data. The origin of the high nonlinear properties of TeO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> is attributed, in general, to the hyperpolarizability of Te atoms electron lone pairs and to the hyperpolarizability of electronic density localized on bonds of the asymmetric Te-O-Te bridges in part. The computational technique is extended on Hyper Raman spectroscopy including scattering on longitudinal modes. The spectra were calculated for both crystalline and glassy TeO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> with a very good reproduction of experimental data. An extra bands inactive in classical Raman spectroscopy are studied using this approach. The most intense high-frequency band in the spectra of paratellurite is attributed to anti-symmetric stretching of long-short bonds in TeO<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> disphenoid with A<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> symmetry. The influence of the structural unit configuration on the band position in Hyper Raman spectra is established. The best agreement between calculated phonon spectrum and experimental data is obtained using hybrid functional approach, which explains the strong correlation on valence electron states of Te atoms. The strong dependence of LO modes intensity in Hyper Raman spectra on third order nonlinear susceptibility is obtained and explained. The reported technique can be easily extended on a big family of binary and ternary compounds.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416768"},"PeriodicalIF":2.8,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

引用次数: 0

Theoretical study of nonlinear optical rectification of a cylindrical quantum dot molecule in the Born–Markov regime

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-28 DOI: 10.1016/j.physb.2024.416759

J.D. Arias , A.A. Portacio , D.A. Rasero

引用次数: 0

Low energy ion irradiation effects in MgO: Optical property study

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-28 DOI: 10.1016/j.physb.2024.416761

S. Balaji , Sujoy Sen , S. Amirthapandian , Ch Kishan Singh , C. David

引用次数: 0

Heusler-based topological quantum catalyst Fe2VAl with obstructed surface states for the hydrogen-evolution reaction 基于heusler的表面态受阻的拓扑量子催化剂Fe2VAl用于析氢反应

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-28 DOI: 10.1016/j.physb.2024.416773

Yang Li

引用次数: 0

The resistivity of rare earth impurities diluted in Lanthanum, Part I

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-28 DOI: 10.1016/j.physb.2024.416760

V.P. Ramunni , A.L. de Oliveira , A. Troper

{"title":"The resistivity of rare earth impurities diluted in Lanthanum, Part I","authors":"V.P. Ramunni , A.L. de Oliveira , A. Troper","doi":"10.1016/j.physb.2024.416760","DOIUrl":"10.1016/j.physb.2024.416760","url":null,"abstract":"<div><div>We study the temperature-independent resistivity of rare-earth magnetic impurities (Gd, Tb, Dy) and the non-magnetic impurity (Lu) diluted in double hexagonal close-packed (dhcp) lanthanum. We model the system as a two-band system, where s-electrons perform conduction while d-electrons entirely screen the charge differences induced by impurities. Using the T-matrix formalism derived from the Dyson equation, we obtain an expression for resistivity. Since electronic properties are highly sensitive to band structure, we examine two types: a simplified “parabolic” band structure and a more realistic one obtained through first-principles calculations using VASP. Our results indicate that the exchange parameters, represented as cross products, significantly influence the magnitude of the spin resistivity term. Furthermore, we find that the role of band structure in resonant scattering and the formation of virtual bound states depends on the specific band structure employed. Additionally, our study addresses the effects of translational symmetry breaking and the excess charge introduced by rare-earth impurities on resistivity.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416760"},"PeriodicalIF":2.8,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094923","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

引用次数: 0

Synthetically modified mixed phase inverse spinel CuFe2O4 magnetic nanoparticles: Structure, physical, and electrochemical properties for photocatalytic applications 合成修饰的混合相逆尖晶石CuFe2O4磁性纳米颗粒：光催化应用的结构、物理和电化学性质

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-26 DOI: 10.1016/j.physb.2024.416770

Devanshi Zala , Abhijit Ray

{"title":"Synthetically modified mixed phase inverse spinel CuFe2O4 magnetic nanoparticles: Structure, physical, and electrochemical properties for photocatalytic applications","authors":"Devanshi Zala , Abhijit Ray","doi":"10.1016/j.physb.2024.416770","DOIUrl":"10.1016/j.physb.2024.416770","url":null,"abstract":"<div><div>Copper ferrite nanoparticles with crystallite sizes between 21.8 and 27.0 nm are developed by modified co-precipitation (C), two-step hydrothermal (H), and polymer-assisted sol-gel (S) methods. The synthetic conditions caused a structure and morphology variation, resulting in their optoelectrical and electrochemical properties becoming markedly different for specific photocatalytic applications. The nanoparticles are p-type semiconducting with direct optical band-gaps between 2.06 and 2.65 eV and carrier concentrations between 10<sup>17</sup> ∼10<sup>18</sup> cm<sup>−3</sup>. Magnetization studies demonstrate that the C-sample exhibits saturation magnetization of 32.44 emu/g nearly double as compared to that of H-sample (16.4 emu/g); however, the latter shows the highest coercivity. Impedance spectroscopy reveals faster electron transfer kinetics across the grain boundaries in the S-sample. The pellets prepared from C- and S- samples have larger dielectric constants and better oxygen ion-led conductivity owing to their larger grain size. Density Functional Theory-based calculation shows that oxygen ion conductivity plays a vital role in hole transport and thus an enhancement in the photocatalytic properties. Photocatalytic activity in the H-sample is superior with a degree of methylene blue dye degradation of 55 % in 2 h and a faster rate kinetics of 0.004 min<sup>−1</sup> in the first hour under simulated sunlight.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416770"},"PeriodicalIF":2.8,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142747954","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

引用次数: 0

Ternary one-dimensional photonic crystal biosensors for efficient bacteria detection: Role of quantum dots and material combinations 用于高效细菌检测的三元一维光子晶体生物传感器：量子点和材料组合的作用

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-24 DOI: 10.1016/j.physb.2024.416766

Fereshteh Firouzi , Ali Vahedi , Siamak Hagipour

{"title":"Ternary one-dimensional photonic crystal biosensors for efficient bacteria detection: Role of quantum dots and material combinations","authors":"Fereshteh Firouzi , Ali Vahedi , Siamak Hagipour","doi":"10.1016/j.physb.2024.416766","DOIUrl":"10.1016/j.physb.2024.416766","url":null,"abstract":"<div><div>A ternary one-dimensional photonic crystal biosensor was proposed for quick and easy bacterial detection. The Air/(AMB)<sup>N</sup>/D/(AMB)<sup>N</sup>/Glass structure is formed by a defect layer between two identical periodic structures filled with samples of normal blood and bacteria-infected blood. Three categories of inorganic, organic, and inorganic/organic hybrid materials were used to make the four combinations of proposed photonic crystal biosensors. Aluminum Gallium Nitride (Al<sub>x</sub>Ga<sub>1-x</sub>N) quantum dots, Gallium Arsenide (GaAs), silica, and polyaniline polymer have been used in the proposed structures to observe and compare their effects are in the infrared and visible regions. The results indicate that incorporating Al<sub>x</sub>Ga<sub>1-x</sub>N and GaAs quantum dot layers has increased the sensitivity. These designs have two photonic band gaps with multiple suitable detection modes in infrared and visible regions with an approximately linear behavior. A standard blood sample (TBN) and bacterial samples (TB1 to TB7) were distinguished using the optimal parameters.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416766"},"PeriodicalIF":2.8,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142745359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

引用次数: 0