Physica B-condensed Matter最新文献

{"title":"Theoretical exploration of the crystal stability and optoelectronic features of ternary nitrides A3MN3 (A = Sr, Ba; M = Ga, In)","authors":"Yanjie Zhang ,&nbsp;Hongyan Zeng ,&nbsp;Rongjian Sa ,&nbsp;Xingyuan Chen ,&nbsp;Diwen Liu","doi":"10.1016/j.physb.2024.416763","DOIUrl":"10.1016/j.physb.2024.416763","url":null,"abstract":"<div><div>Ternary metal nitrides are of great interest in terms of their fundamental properties in recent years. Despite extensive experimental and computational explorations of these nitrides have been investigated, there are currently no reports of A₃MN₃ (A = Sr, Ba; M = Ga, In). Herein, comprehensive calculations are executed to study their crystal stability, optoelectronic features, and elastic properties. The results disclose that the thermodynamic stability of four compounds is ensured, and they are also dynamically and mechanically stable. Furthermore, Sr₃MN₃ and Ba₃MN₃ (M = Ga, In) are found to be brittle and ductile materials, respectively. All compounds are further predicted to be indirect-gap semiconductors with an energy gap of 1.0–1.5 eV. Besides, the observation of optical properties reveals their significant solar absorption. Notably, this research elucidates the potential of these nitrides for solar energy conversion.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416763"},"PeriodicalIF":2.8,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723800","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}

{"title":"MBE growth and ordering of ferromagnetic MnGe nanocrystals on a nanopatterned insulating layer","authors":"S. Amdouni ,&nbsp;Mansour Aouassa ,&nbsp;Mohammed Bouabdellaoui ,&nbsp;A.K. Abdullah ,&nbsp;M. Yahyaoui","doi":"10.1016/j.physb.2024.416764","DOIUrl":"10.1016/j.physb.2024.416764","url":null,"abstract":"<div><div>This paper presents a novel methodology for growing highly ordered arrays of self-assembled manganese-germanium (MnGe) nanocrystals (NCs) on an insulating SiO₂ layer. This approach utilizes solid-state dewetting of thin MnGe films, deposited by molecular beam epitaxy (MBE), onto a nanopatterned SiO₂ surface created via electron beam lithography (EBL). Detailed analysis of morphology, structure, and magnetic properties reveals key attributes of these MnGe NCs: a Curie temperature exceeding room temperature (325 K), high purity, defined shape and crystalline structure, high density, and a remarkably narrow size distribution. Moreover, these NCs exhibit precise and tunable ordering based on the specific patterns etched into the SiO₂ surface, showcasing the effectiveness of combining surface nanostructuring with solid-state dewetting of MnGe layers. These results represent a significant advancement in magnetic semiconductor nanocrystal growth, with promising implications for applications in spintronic and optoelectronic devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416764"},"PeriodicalIF":2.8,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723807","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}

{"title":"Aharonov–Bohm flux and dual gaps effects on energy levels in graphene magnetic quantum dots","authors":"Fatima Belokda ,&nbsp;Ahmed Bouhlal ,&nbsp;Ahmed Siari ,&nbsp;Ahmed Jellal","doi":"10.1016/j.physb.2024.416745","DOIUrl":"10.1016/j.physb.2024.416745","url":null,"abstract":"<div><div>We address the question of how the Aharonov–Bohm flux <span><math><msub><mrow><mi>Φ</mi></mrow><mrow><mi>A</mi><mi>B</mi></mrow></msub></math></span> can affect the energy levels of graphene magnetic quantum dots (GMQDs) of radius <span><math><mi>R</mi></math></span>. To answer this question, we consider GMQDs induced by a magnetic field <span><math><mi>B</mi></math></span> and subjected to two different gaps — an internal gap <span><math><msub><mrow><mi>Δ</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span> and an external gap <span><math><msub><mrow><mi>Δ</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span>. After determining the eigenspinors and ensuring continuity at the boundary of the GMQDs, we formulate an analytical equation describing the corresponding energy levels. Our results show that the energy levels can exhibit either a symmetric or an asymmetric behavior depending on the valleys <span><math><mrow><mi>K</mi><mrow><mo>(</mo><mi>τ</mi><mo>=</mo><mn>1</mn><mo>)</mo></mrow></mrow></math></span> and <span><math><mrow><msup><mrow><mi>K</mi></mrow><mrow><mo>′</mo></mrow></msup><mrow><mo>(</mo><mi>τ</mi><mo>=</mo><mo>−</mo><mn>1</mn><mo>)</mo></mrow></mrow></math></span> together with the quantum angular momentum <span><math><mi>m</mi></math></span>. In addition, we find that <span><math><msub><mrow><mi>Φ</mi></mrow><mrow><mi>A</mi><mi>B</mi></mrow></msub></math></span> causes an increase in the band gap width when <span><math><msub><mrow><mi>Δ</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span> is present inside the GMQDs. This effect is less significant when a gap is present outside, resulting in a longer lifetime of the confined electronic states. Further increases in <span><math><msub><mrow><mi>Φ</mi></mrow><mrow><mi>A</mi><mi>B</mi></mrow></msub></math></span> reduce the number of levels between the conduction and valence bands, thereby increasing the band gap. These results demonstrate that the electronic properties of graphene can be tuned by the presence of the AB flux, offering the potential to control the behavior of graphene-based quantum devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416745"},"PeriodicalIF":2.8,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723804","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}

{"title":"Fabrication of Gd2O3-Loaded nitrogen-rich C3N5@PANI hybrid nanocomposites: Unlocking efficient photocatalysis for long-Term organic dye degradation in wastewater treatment","authors":"A. Antony Christian Raja ,&nbsp;A.S.I. Joy Sinthiya ,&nbsp;V. Selvam ,&nbsp;C. Anitha ,&nbsp;B. Malathi","doi":"10.1016/j.physb.2024.416758","DOIUrl":"10.1016/j.physb.2024.416758","url":null,"abstract":"<div><div>In this study, PANI@g-C₃N₅/Gd₂O₃ nanocomposites were made using a simple chemical process that combined PANI with the nitrogen-rich and potent chemical stability of g-C₃N₅ and Gd₂O₃. XRD, SEM-EDX, TEM, BET, UV-DRS, and PL investigations confirmed nanocomposites crystallographic, physicochemical, structural, and optical properties. PANI@g-C3N5/Gd₂O₃ exhibited exceptional photodegradation capabilities when subjected to toxic dyes, including erythrosine (Ey) and rhodamine (RhB). The g-C₃N₅/Gd₂O₃ nanocomposite was optimized for mass ratio with Gd₂O₃, and the addition of PANI further increased the specific surface area of the g-C₃N₅/Gd₂O₃ matrix. The prepared photocatalyst degraded RhB and EY almost completely within 75 and 60 min, respectively. The band gap energy of g-C₃N₅ decreased after adding Gd₂O₃ and PANI. The synergistic effects of g-C₃N₅, Gd₂O₃, and PANI reduced electron-hole charge carrier recombination at the photocatalyst interface, enhancing photocatalytic activity. Radical quenching studies showed that O₂^• and ^•OH were crucial to photocatalysis. After four cycles, the PANI@g-C₃N₅/Gd₂O₃ nanocomposites showed 93 % dye removal efficiency and excellent stability, suggesting environmental remediation potential.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416758"},"PeriodicalIF":2.8,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723809","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}

{"title":"Two-dimensional single-layer ferrimagnetic TiMnX2 and TiCoX2: First-principles calculations and Monte Carlo simulations","authors":"Xin-Lu Song ,&nbsp;Wen-Chao Huang ,&nbsp;Xiao-Fang Wang ,&nbsp;Xiang-Hu Wang ,&nbsp;Xiao-Shuang Chen ,&nbsp;Yun-Xia Li","doi":"10.1016/j.physb.2024.416740","DOIUrl":"10.1016/j.physb.2024.416740","url":null,"abstract":"<div><div>Two-dimensional single-layer intrinsic magnetic materials have the characteristics of high surface activity and easy regulation, making them a popular material in current spintronics. This article uses density functional theory (DFT) to systematically study the two-dimensional monolayer TiMnX<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> (X=S, Se) and TiCoX<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> (X=S, Te). All structures are stable and 100% spin-polarized. Based on the Heisenberg model, combined with interaction parameters and magnetic anisotropy energy, we used the Monte Carlo method to calculate the Neel temperatures of two-dimensional single-layer TiMnX<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and TiCoX<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, which were 240 K, 280 K, 100 K, and 180 K, respectively. Finally, strain control was applied to these four materials, and the materials’ half-metallicity and Neel temperature changes under lattice deformation conditions were calculated. Among them, TiMnX<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> (X=S, Se) two materials had Neel temperatures higher than 300 K (room temperature) under 3% deformation. These findings provide four competitive ferrimagnetic candidate materials for single-layer spintronics materials.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416740"},"PeriodicalIF":2.8,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723802","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}

{"title":"Optimization of silica-doped BxCyNz monolayer anode for high-performance potassium metal batteries through modeling study","authors":"Mohamed J. Saadh ,&nbsp;Anjan Kumar ,&nbsp;Deepak Bhanot ,&nbsp;Jayanti Makasana ,&nbsp;Halijah Hassan ,&nbsp;Bharti Kumari ,&nbsp;G.V. Siva Prasad ,&nbsp;Mohammad Hussen ,&nbsp;Abdulrahman A. Almehizia","doi":"10.1016/j.physb.2024.416756","DOIUrl":"10.1016/j.physb.2024.416756","url":null,"abstract":"<div><div>Within this piece of research, the performances of pure B₂CN₃ nanosheet (PB₂CN₃NS) and its doped structure with Si atoms (SB₂CN₃NS) as the anode materials of K-ion batteries (KIBs) were investigated using DFT. The findings showed that PB₂CN₃NS and SB₂CN₃NS are highly capable of adsorbing K with acceptable adhesion energy (AE). Also, because of the negative adhesion of K⁺, in comparison with K, K⁺ donated more electrons on PB₂CN₃NS and SB₂CN₃NS. Based on the results, SB₂CN₃NS provided an ideal condition for the K atoms to migrate on the surfaces of PB₂CN₃NS and SB₂CN₃NS because of their lower energy barrier. The computed theoretical storage capacity was approximately 1347 mAh.g⁻¹ after the adhesion maximum K atoms onto PB₂CN₃NS and SB₂CN₃NS. This value is higher the values reported for many anodes materials fabricant in recent years. The open circuit voltage (V_OC) of PB₂CN₃NS and SB₂CN₃NS were also found to be low, which were 0.19 and 0.25 V, respectively. The outcomes within this study can provide useful insights into producing highly efficient anodes for KIBs.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416756"},"PeriodicalIF":2.8,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723798","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}

{"title":"Landau levels in Weyl semimetal under uniaxial strain","authors":"Shivam Yadav,&nbsp;Andrzej Ptok","doi":"10.1016/j.physb.2024.416730","DOIUrl":"10.1016/j.physb.2024.416730","url":null,"abstract":"<div><div>The external strain can lead to the similar effect to the external applied magnetic field. Such pseudo magnetic field can be larger than typical magnetic fields, which gives the opportunity to experimentally study the Landau levels. In this paper we study the effects of uniaxial strain on the Weyl nodes, using continuum and lattice model. In the continuum model we show that the uniaxial strain leads to magnetic field renormalization, which in practice corresponds to the shift of the Landau levels to higher energy. We also investigate type-I and type-II Weyl nodes using lattice model. In this case, the magnetic field is introduced by the Pierels substitution, while uniaxial strain by the direction dependence of hopping integrals. This allowed us to probe the Landau level and system spectrum which takes form of Hofstadter butterfly. We show that the renormalization of magnetic field, similar to this observed in the continuum model, emerges.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416730"},"PeriodicalIF":2.8,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723803","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}

{"title":"Deposition of ZnO and Al-doped ZnO thin films using pressed-sintered targets","authors":"Rozen Grace B. Madera ,&nbsp;Hiroki Nagai ,&nbsp;Takeyoshi Onuma ,&nbsp;Tohru Honda ,&nbsp;Tomohiro Yamaguchi ,&nbsp;Magdaleno R. Vasquez Jr.","doi":"10.1016/j.physb.2024.416733","DOIUrl":"10.1016/j.physb.2024.416733","url":null,"abstract":"<div><div>Zinc oxide (ZnO) and aluminum-doped ZnO (AZO) thin films were deposited using a custom-built deposition system operated by a radio frequency power supply. The targets used for the deposition process were made from custom-made pressed-sintered targets. Sputter deposition was carried out using argon gas only at 9.5 Pa and 50 W power. Growth of ZnO and AZO films with a preferred orientation along the c-axis was confirmed. Microscopy images revealed the growth of uniformly distributed grains that are dense and void-free with a columnar structure. Visible light transmittance ranged from 70 to 80%. For AZO films, the Al doping level was 0.64 at.%, the sheet resistance was at 560.3 <span><math><mi>Ω</mi></math></span>/sq, carrier concentration at -2.65 × 10²⁰ cm⁻³, and mobility at 14.50 cm<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span>V⁻¹s⁻¹. The figure of merit is 1.2 × 10⁻⁴ <span><math><msup><mrow><mi>Ω</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span>. This work demonstrated the feasibility of preparing powder-based targets with a tunable composition to deposit transparent thin films under low vacuum conditions.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416733"},"PeriodicalIF":2.8,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723806","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}

{"title":"Electrical transport properties of topological insulator As2Te3 under high pressure","authors":"Yuqiang Li ,&nbsp;Yuyao Liu ,&nbsp;Qiang Zhang ,&nbsp;Chuanzhen Zhao ,&nbsp;Jinlu Sun ,&nbsp;Yuhong Li ,&nbsp;Yang Liu ,&nbsp;Pingfan Ning ,&nbsp;Yi Liu ,&nbsp;Haiying Xing","doi":"10.1016/j.physb.2024.416757","DOIUrl":"10.1016/j.physb.2024.416757","url":null,"abstract":"<div><div>The electrical transport properties of As₂Te₃ were studied under high pressure using theoretical and experimental methods. The structural phase transition was observed at around 25 GPa using first-principles calculations, which was reflected in the collapse of the cell volume and the calculation of the enthalpy. The pressure-induced metallization was confirmed at approximately 7 GPa from closed energy bands and density of states, and the resistivity of variable temperature also shown a piece of evidence for metallization at 7.1 GPa. The curves of the electrical parameters at 7 GPa are consistent with the theoretical calculations. In addition, discontinuous changes in carrier parameters were observed at around 15 GPa, which is attributed to the isostructural phase transition of As₂Te₃. Studying the electrical transport properties of As₂Te₃ under high pressure, especially its pressure-induced metallization properties, can provide a theoretical basis for its application in storage devices and thermoelectric materials, and help to understand the properties of other A₂B₃-type compounds under high pressure.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416757"},"PeriodicalIF":2.8,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723795","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}

{"title":"Effectuality of frequency dependent dielectric characterization of (N:DLC) film deposition between the metal-semiconductor interface","authors":"N. Urgun ,&nbsp;S.O. Tan ,&nbsp;A. Feizollahi Vahid ,&nbsp;B. Avar ,&nbsp;Ş. Altındal","doi":"10.1016/j.physb.2024.416753","DOIUrl":"10.1016/j.physb.2024.416753","url":null,"abstract":"<div><div>Dielectric characterization of metal-interlayer-semiconductor (MIS) structures of N-doped Diamond-Like Carbon (N:DLC) film-coated interlayer is performed to assess their dielectric properties, AC electrical conductivity (<em>σ</em>_<em>ac</em>), and polarization mechanisms. The interlayer's structural analysis is performed using Scanning Electron Microscopy (SEM) and X-ray Photo-electron Spectroscopy (XPS). The in-phase and out-of-phase parts of the complex dielectric constant (<em>ε∗</em>), the complex electric modulus (<em>M∗</em>), the values of tangent loss (tanδ), and <em>σ</em>_<em>ac</em> are determined utilizing admittance-voltage (Y = 1/Z = G + jωC) measurements revealing that their strong sensitivity to voltage and frequency. Remarkably, a relative permittivity (<em>ε′</em>) of 407 at 1 kHz, 104 times higher than traditional SiO₂ insulators, is observed, suggesting a significantly enhanced electron density and energy storage capacity for ultracapacitors. The double logarithmic <em>σ</em>_<em>ac</em> vs <em>f</em> plot slope changes between 0.36 and 0.20 at strong accumulation. The intersection point in <em>σ</em>_<em>ac</em> implies a lack of free electrons at higher frequencies, suggesting an electron trapping or recombination process.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416753"},"PeriodicalIF":2.8,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723874","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}