Physica B-condensed Matter最新文献_第7页

Evaluation of stable direct bandgap inorganic double halide perovskites A2MM'X6 for photovoltaic and photocatalysis applications

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-03-17 DOI: 10.1016/j.physb.2025.417147

Hadeer H. AbdElAziz , Laila Saad , M.H. Khedr , Mohamed Taha

{"title":"Evaluation of stable direct bandgap inorganic double halide perovskites A2MM'X6 for photovoltaic and photocatalysis applications","authors":"Hadeer H. AbdElAziz , Laila Saad , M.H. Khedr , Mohamed Taha","doi":"10.1016/j.physb.2025.417147","DOIUrl":"10.1016/j.physb.2025.417147","url":null,"abstract":"<div><div>This study employed density functional theory (DFT) calculations to investigate the structural, mechanical and optoelectronic properties of the double halide perovskites, A<sub>2</sub>MM'X<sub>6</sub> (A = K, Rb, Cs; M = Ag, Cu; M' = Al, Ga, In; and X = Cl, Br). The stability of twenty-six A<sub>2</sub>MM'X<sub>6</sub> was evaluated using the tolerance factor. We then performed a DFT study on the seventeen phase stable materials to predict their thermodynamic stability, mechanical and electronic properties. The phonon dispersion, decomposition energy and effective masses of the materials are computed. The bandgaps of these materials range from 1.35 to 3.66 eV. The band edge positions and optical properties (absorption coefficient, dielectric function, refractive index, reflectivity and loss function) were calculated. Two of these materials are suitable for single junction solar cells applications, three are suitable for tandem solar cells and nine of them materials may act as photocatalysts for water splitting and CO<sub>2</sub> reduction based on their electronic and optical results. Cs<sub>2</sub>AgAlBr<sub>6</sub> and Cs<sub>2</sub>AgInBr<sub>6</sub> materials are the most stable and appropriate for the application in both photovoltaic and photocatalysis applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417147"},"PeriodicalIF":2.8,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686798","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

Corrigendum to ‘Magneto-optical conductivity in the type-I and type-II phases of Weyl/multi-Weyl semimetals’ [Physica B 656 (2023) 414765]

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-03-12 DOI: 10.1016/j.physb.2025.417093

Shivam Yadav, Sajid Sekh, Ipsita Mandal

引用次数: 0

The high-pressure phase transition in tin diselenide discovered by Raman scattering and X-ray diffraction analysis

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-03-12 DOI: 10.1016/j.physb.2025.417139

Fangfang Chen , Liuxia Sun , Hua Zhao , Pan Liang , Kai Jiang

{"title":"The high-pressure phase transition in tin diselenide discovered by Raman scattering and X-ray diffraction analysis","authors":"Fangfang Chen , Liuxia Sun , Hua Zhao , Pan Liang , Kai Jiang","doi":"10.1016/j.physb.2025.417139","DOIUrl":"10.1016/j.physb.2025.417139","url":null,"abstract":"<div><div>The two-dimensional (2D) semiconductor tin diselenide (SnSe<sub>2</sub>) has recently gained great attention in electronic and optical attributed to its unique physical properties. Here, we present a pressure-dependent study on the phase transformation behavior of the SnSe<sub>2</sub> crystal range from ambient pressure up to 34.81 GPa. In order to study the phase transition behavior of SnSe<sub>2</sub>, we employed <em>In situ,</em> high-pressure Raman spectroscopy and X-ray diffraction (XRD). The obtained single-crystal XRD data reveal that at 34.81 GPa, the lengths of the <em>a</em> and <em>c</em> axes are reduced by approximately 9.2 % and 21.7 %, respectively, compared to their values at 0 GPa. This indicates that the lattice parameter <em>a</em> is less affected by pressure compared to the lattice constant <em>c</em>. At a pressure of up to 8 GPa, the low-frequency vibrational mode (approximately 119 cm<sup>−1</sup>) becomes significantly weaker and then undetectable. Surprisingly, a Raman band gradually emerges at around 80 cm<sup>−1</sup>. Additionally, the high-frequency vibrational mode gradually splits into two modes, and the Raman signal weakens and broadens. These phenomena suggest a decrease in the crystalline symmetry of SnSe<sub>2</sub> and the occurrence of semiconductor-to-metal transitions from 8 GPa onward. Our findings offer a new avenue for further investigation into the complex phase transition mechanisms in transition metal dichalcogenides-related materials.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417139"},"PeriodicalIF":2.8,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628848","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

A first principles study on spin dependent electronic and optical characteristics of NH2 adsorbed zinc oxide-based nanomaterials 关于吸附 NH2 的氧化锌基纳米材料自旋相关电子和光学特性的第一性原理研究

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-03-12 DOI: 10.1016/j.physb.2025.417142

Serkan Caliskan, Samina Masood

引用次数: 0

Regulation of strong coupling between multiple BICs and excitons in bulk WS2 metasurfaces 调控块状 WS2 超表面中多个 BIC 与激子之间的强耦合

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-03-12 DOI: 10.1016/j.physb.2025.417141

Jianghao Chen, Suxia Xie, Miaowenhao Sun, Zhaoyou Zeng, Siyi Sun, Xin Guan

{"title":"Regulation of strong coupling between multiple BICs and excitons in bulk WS2 metasurfaces","authors":"Jianghao Chen, Suxia Xie, Miaowenhao Sun, Zhaoyou Zeng, Siyi Sun, Xin Guan","doi":"10.1016/j.physb.2025.417141","DOIUrl":"10.1016/j.physb.2025.417141","url":null,"abstract":"<div><div>Bulk transition metal dichalcogenides have become staples in nanophotonics, condensed matter physics, and quantum optics due to their elevated refractive index and the reliable exciton response they maintain at room temperature. In our research, we harness block WS<sub>2</sub> to engineer an ultra-thin nanodisk metasurface capable of supporting both magnetic dipole Q-BIC (quasi-bound in the continuum) resonance and magnetic ring dipole Q-BIC resonance. Remarkably, these Q-BIC resonances are capable of self-hybridizing with excitons, facilitating intense light-matter interactions within the structure, independent of an external cavity. The self-hybridized exciton polaritons, a result of the strong coupling between Q-BIC and excitons, display characteristic anti-crossing behavior, with Rabi splittings reaching up to 161 meV and 165 meV, respectively. Building upon these findings, we utilize a Hamiltonian model that accounts for residual excitons, thereby substantiating the strong coupling phenomenon. Our discoveries hold significant promise for the manipulation of excitonic polaritons at room temperature, potentially leading to the development of large-scale, cost-effective integrated polaron devices that operate under room temperature.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417141"},"PeriodicalIF":2.8,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628850","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

Influence of SrBi2Nb2O9 (SBN) incorporation in K0.5Na0.5NbO3 (KNN) ceramics on its structural and electrical properties

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-03-12 DOI: 10.1016/j.physb.2025.417144

Archana Indurkar , Sumit Kumar Mev , Saket Asthana , Oroosa Subohi

{"title":"Influence of SrBi2Nb2O9 (SBN) incorporation in K0.5Na0.5NbO3 (KNN) ceramics on its structural and electrical properties","authors":"Archana Indurkar , Sumit Kumar Mev , Saket Asthana , Oroosa Subohi","doi":"10.1016/j.physb.2025.417144","DOIUrl":"10.1016/j.physb.2025.417144","url":null,"abstract":"<div><div>This paper presents the study of electrical and ferroelectric behaviour of lead-free solid-solution with the end members belonging to two distinct families: perovskite and bismuth layer-structured ferroelectrics (BLSF). (1-x) (K<sub>0.5</sub>Na<sub>0.5</sub>NbO<sub>3</sub>) - x (SrBi<sub>2</sub>Nb<sub>2</sub>O<sub>9</sub>) (x = 0.10, 0.20, 0.30, 0.40, and 0.50 mol %) ceramics were prepared using solid-state reaction. XRD and Raman spectroscopy were used to study the phase formation. A dense and irregular grain distribution was observed from SEM images. Addition of SBN in KNN tends to lower the transition temperature (from 379 °C to 372 °C), ε<sub>r</sub> (from 435 to 375) and P<sub>r</sub> (from 9.49 μC/cm<sup>2</sup> to 2.85 μC/cm<sup>2</sup>) initially up to x = 0.30, however T<sub>c</sub> and P<sub>r</sub> increase with further increase in SBN composition. The composition with x = 0.5 shows enhanced ferroelectric properties with ε<sub>r</sub> = 473, T<sub>c</sub> = 417 °C, P<sub>r</sub> = 13.81 μC/cm<sup>2</sup> and E<sub>c</sub> = 31.96 kV/cm which makes this ceramic composition a potential candidate for ferroelectric capacitor and memory devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417144"},"PeriodicalIF":2.8,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643750","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

Electronic and optical properties of Ti3AC2 (A=Sn, Ge, Si) MAX phases by first-principles calculations

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-03-12 DOI: 10.1016/j.physb.2025.417140

Jiahua Ge, Huarong Qi

引用次数: 0

The roles of the magnetic field and impurities on the electronic and optical properties of the InAs quantum ring/dot

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-03-12 DOI: 10.1016/j.physb.2025.417145

Ayham Shaer , Diana Deheliah , Esin Kasapoglu

引用次数: 0

(Ho, Yb) co-doping effects on structural, optical, photocatalytic and thermal properties of TiO2 NPs prepared by hydrothermal approach

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-03-11 DOI: 10.1016/j.physb.2025.417132

Poonam Nain , Manjeet Pawar , Saruchi Rani , Sushil Kumar , M.A. Majeed Khan

{"title":"(Ho, Yb) co-doping effects on structural, optical, photocatalytic and thermal properties of TiO2 NPs prepared by hydrothermal approach","authors":"Poonam Nain , Manjeet Pawar , Saruchi Rani , Sushil Kumar , M.A. Majeed Khan","doi":"10.1016/j.physb.2025.417132","DOIUrl":"10.1016/j.physb.2025.417132","url":null,"abstract":"<div><div>TiO<sub>2</sub> nanoparticles with lanthanide dopant's concentration Ho (1 %) and Yb (1, 3 %) were successfully produced by hydrothermal method utilizing titanium isopropoxide, holmium nitrate pentahydrate and ytterbium nitrate pentahydrate as precursors. Produced nanoparticles were analyzed using structural (XRD, FTIR), microstructural (FESEM, EDX), optical (UV–visible, PL), photocatalytic and thermal (TGA, DTG) characterization tools. XRD indicated that TiO<sub>2</sub> and (Ho, Yb) co-doped TiO<sub>2</sub> nanoparticles have anatase phase. The crystallite size, micro-strain, lattice constant and dislocation density were calculated through XRD data. Optical studies revealed bandgap, urbach energy, refractive index, extinction coefficient, optical conductivity and PL emission wavelength. Photocatalytic activity predicted the photodegradation of Rhodamine Band Malachite Green dyes as examined through visible light absorption, and indicated that degradation rate of photocatalyst enhances as (Ho, Yb) doping concentration increases in TiO<sub>2</sub> NPs. Thermal analysis was carried out to estimate weight loss during different phases, and parameters such as activation energy, entropy, enthalpy and Gibb's free energy.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417132"},"PeriodicalIF":2.8,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609725","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

Analysing the internal electric field in GaN/InxGa1−xN MQW solar cells: A comparative study of Ga-face and N-face structures

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-03-11 DOI: 10.1016/j.physb.2025.417137

Hamza Bousdra , Noureddine Ben Afkir , Jaafar Meziane , Mimoun Zazoui

{"title":"Analysing the internal electric field in GaN/InxGa1−xN MQW solar cells: A comparative study of Ga-face and N-face structures","authors":"Hamza Bousdra , Noureddine Ben Afkir , Jaafar Meziane , Mimoun Zazoui","doi":"10.1016/j.physb.2025.417137","DOIUrl":"10.1016/j.physb.2025.417137","url":null,"abstract":"<div><div>This study investigated the optical and electrical performance of Ga-face and N-face <span><math><mrow><mtext>GaN</mtext><mrow><mo>(</mo><mi>p</mi><mo>)</mo></mrow><mo>−</mo><msub><mrow><mtext>GaN</mtext><mo>/</mo><mtext>In</mtext></mrow><mi>x</mi></msub><msub><mtext>Ga</mtext><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><mi>N</mi><mspace></mspace><mtext>QW</mtext><mo>−</mo><mtext>GaN</mtext><mrow><mo>(</mo><mi>n</mi><mo>)</mo></mrow></mrow></math></span> multiple quantum well solar cells (MQWSCs) to address the need for more efficient solar energy conversion. Using a numerical finite difference method (FDM), we analysed the impacts of built-in electric fields, spontaneous and piezoelectric polarizations, the quantum well (QW) size, the QW number, and the indium concentration on the optical and electrical characteristics of the proposed MQW solar cell. Our findings indicate that N-face structures align built-in and polarization fields, enhancing carrier generation and collection compared with Ga-face structures. Specifically, our results demonstrate that, at x = 0.6, w = 2 nm, and <span><math><mrow><msub><mi>N</mi><mtext>QW</mtext></msub><mo>=</mo><mn>50</mn></mrow></math></span>, the N-face structure achieves maximum conversion efficiencies of 26.56 % and 23.47 %, respectively, for the Ga-face structure. These findings demonstrate that tuning the QW thickness and indium concentration can optimize the MQWSC efficiency, with N-face structures achieving greater performance. This work highlights the potential of N-face p-i-n structures in advancing high-efficiency solar cells.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417137"},"PeriodicalIF":2.8,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143644182","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