Physica B-condensed Matter最新文献

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Unveiling the synergistic impact of asymmetric oxygen doping and biaxial strain on the photoelectric properties of GaSe/MoS2 heterojunctions: A first-principles study 揭示不对称氧掺杂和双轴应变对GaSe/MoS2异质结光电性能的协同影响: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 : 2025-07-07 DOI: 10.1016/j.physb.2025.417583
Zilian Tian , Lu Yang , Hang Yang , Yao Dong , Wei Zhao
{"title":"Unveiling the synergistic impact of asymmetric oxygen doping and biaxial strain on the photoelectric properties of GaSe/MoS2 heterojunctions: A first-principles study","authors":"Zilian Tian ,&nbsp;Lu Yang ,&nbsp;Hang Yang ,&nbsp;Yao Dong ,&nbsp;Wei Zhao","doi":"10.1016/j.physb.2025.417583","DOIUrl":"10.1016/j.physb.2025.417583","url":null,"abstract":"<div><div>A systematic investigation was conducted into the electronic structure and optical property regulation mechanisms of GaSe/MoS<sub>2</sub> heterojunctions. The investigation was based on first-principles calculations. The built-in electric field induced by interfacial electron migration was significantly enhanced under combined O doping and strain regulation. This enhancement has been demonstrated to result in improved charge separation efficiency. Applying biaxial tensile strain to the doped system has resulted in a transition from an indirect bandgap to a direct bandgap. The bandgap value has gradually decreased from 0.98 eV (eV) at 2 % strain to 0.59 eV at 8 % strain.Conversely, compressive strain initially reduces the bandgap value of the doped system and subsequently causes it to increase gradually, reaching a maximum of 1.55 eV. Furthermore, optical analysis demonstrates that O doping exerts a suppressive effect on enhancing optical peak intensity through precisely calibrating electronic states. Strain instigates red shifts in absorption and reflection peaks, modulating the energy level distribution and expanding the photoresponse range. This study unveils a practical approach to regulating the optical properties of two-dimensional heterojunctions through the synergistic effects of doping and strain, thus providing significant references for designing efficient optoelectronic devices. Furthermore, it provides a theoretical basis for applying GaSe/MoS<sub>2</sub> heterojunctions in optoelectronic devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"715 ","pages":"Article 417583"},"PeriodicalIF":2.8,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144597428","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
Parasitic absorption of zinc oxide as a transparent conductive oxide layer for silicon heterojunction solar cells 寄生吸收氧化锌作为透明导电氧化层用于硅异质结太阳能电池
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-07-07 DOI: 10.1016/j.physb.2025.417594
C.Q. Wang , C. Wen , B. Li , M. Chen , Y. Ren , Q.Y. Dai
{"title":"Parasitic absorption of zinc oxide as a transparent conductive oxide layer for silicon heterojunction solar cells","authors":"C.Q. Wang ,&nbsp;C. Wen ,&nbsp;B. Li ,&nbsp;M. Chen ,&nbsp;Y. Ren ,&nbsp;Q.Y. Dai","doi":"10.1016/j.physb.2025.417594","DOIUrl":"10.1016/j.physb.2025.417594","url":null,"abstract":"<div><div>ZnO, due to its low cost, good electrical conductivity, and excellent light transmittance, is ideal for use as the transparent conductive oxide (TCO) layer of Si heterojunctions with intrinsic thin-layer (HJT) solar cells. However, it leads to a strong parasitic absorption in the ultraviolet (UV) band. Effectively utilizing the photogenerated carriers induced by UV light in ZnO is expected to enhance the UV photon conversion potential and improve the power conversion efficiency (<em>PCE</em>) of HJT solar cells. Here, the Silvaco software was used to numerically and theoretically investigate ZnO/<em>a</em>-Si(n)/<em>a</em>-Si(i)/<em>c</em>-Si(p)/<em>a</em>-Si(i)/<em>a</em>-Si(p) solar cells. By varying key parameters of the ZnO film, the performance of the HJT solar cells could be changed, and the factors affecting the utilization of the carriers generated in ZnO were investigated. It was found that the photogenerated carriers in ZnO can be utilized. Nevertheless, the diffusion of the photogenerated holes in ZnO is affected by the potential barrier at the ZnO/<em>a</em>-Si heterojunction. Increasing the donor concentration and decreasing the electron affinity of ZnO reduce this barrier, leading to an increase in the external quantum efficiency in the UV band and short-circuit current. Furthermore, although a thicker ZnO layer results in enhanced UV absorption, it promotes the diffusion of the photogenerated holes into Si, which is more sensitive to the width of the barrier. This study provides theoretical reference for reducing the parasitic UV absorption of ZnO as a TCO layer, which is of significance for enhancing the UV <em>PCE</em> of HJT cells and reducing production costs.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"715 ","pages":"Article 417594"},"PeriodicalIF":2.8,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144587935","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
Interpretable machine learning prediction of mechanical properties of AlCoCrFeNi/graphene composites AlCoCrFeNi/石墨烯复合材料力学性能的可解释机器学习预测
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-07-07 DOI: 10.1016/j.physb.2025.417585
Biting Shen, Tinghong Gao, Qingqing Wu, Han Song, Yongchao Liang, Bei Wang, Mengyuan Liu, Xiangyin Li
{"title":"Interpretable machine learning prediction of mechanical properties of AlCoCrFeNi/graphene composites","authors":"Biting Shen,&nbsp;Tinghong Gao,&nbsp;Qingqing Wu,&nbsp;Han Song,&nbsp;Yongchao Liang,&nbsp;Bei Wang,&nbsp;Mengyuan Liu,&nbsp;Xiangyin Li","doi":"10.1016/j.physb.2025.417585","DOIUrl":"10.1016/j.physb.2025.417585","url":null,"abstract":"<div><div>This study combines molecular dynamics (MD) simulations and machine learning (ML) methods to predict the mechanical properties of AlCoCrFeNi/graphene. The effects of the number of graphene layers, Al concentration and temperature on the mechanical properties of the materials were explored, and it was found that the number of graphene layers had a positive effect on the mechanical properties, while the opposite was true for Al concentration and temperature. Next, nine ML models were used to predict the mechanical properties, of which the CatBoost model performed best on the test set of Young's modulus (E). On the test set of tensile strength (TS), the XGBoost model had the best performance. Then the shapley additive interpretation (SHAP) method was used to analyze the characteristic contribution of the XGBoost model, and the validation results confirmed that the method was feasible and provided effective guidance for the design of high-performance high-entropy alloy composites.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"715 ","pages":"Article 417585"},"PeriodicalIF":2.8,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144597427","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
Fabrication of nitrogen-doped BiVO4/CrFe2O4@CNTs heterojunction for enhanced photocatalytic degradation of pesticides 氮掺杂BiVO4/CrFe2O4@CNTs异质结增强光催化降解农药的制备
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-07-07 DOI: 10.1016/j.physb.2025.417592
Abdullah Saad Alsubaie , Sehar Altaf , Tahani Rahil Aldhafeeri , Mohammed A. Amin , Mahmoud M. Hessien , Umaira Rafiq , Muhammad Farooq Warsi
{"title":"Fabrication of nitrogen-doped BiVO4/CrFe2O4@CNTs heterojunction for enhanced photocatalytic degradation of pesticides","authors":"Abdullah Saad Alsubaie ,&nbsp;Sehar Altaf ,&nbsp;Tahani Rahil Aldhafeeri ,&nbsp;Mohammed A. Amin ,&nbsp;Mahmoud M. Hessien ,&nbsp;Umaira Rafiq ,&nbsp;Muhammad Farooq Warsi","doi":"10.1016/j.physb.2025.417592","DOIUrl":"10.1016/j.physb.2025.417592","url":null,"abstract":"<div><div>Photocatalysis, a green technology for environmental protection, is gaining attention due to its energy efficiency and sustainability. However, the recombination of photogenerated electron-hole pairs is very fast, which decreases quantum efficiency. Recent advances suggest that the fabrication of heterojunction-based materials can address these limitations. In the present work, Nitrogen-doped BiVO<sub>4</sub> (NBVO), CrFe<sub>2</sub>O<sub>4</sub> (CF), and CNTs-based nanocomposite (NBVO/CF@CNTs) were fabricated via a simple co-precipitation and ultrasonication method. The fabricated samples were characterized using different physicochemical techniques. X-rays Diffraction (XRD) confirms the monoclinic and spinel crystal structure for NBVO and CF respectively. Scanning Electron Microscopy (SEM) confirms the entanglement of carbon nanotubes with nanoparticles of NBVO/CF. Optical analysis reveals the decrease in bandgap energy after composite formation which greatly enhances the photocatalytic efficiency of NBVO/CF@CNTs. The photoluminescence (PL) analysis confirmed that NBVO/CF@CNTs have lowest recombination rate among all prepared photocatalysts. The synthesized photocatalysts were employed in the photodegradation of chlorpyrifos (CP) and Triazophos (TA). The degradation efficiency of the NBVO/CF@CNTs was highest (88 % CP and 85 % TA) as compared to the NBVO, CF, and NBVO/CF. The excellent photocatalytic properties of NBVO/CF@CNTs were attributed to the increase in active sites, reduction in bandgap energy and enhanced separation rate of photogenerated species. The NBVO/CF@CNTs proved to be an efficient and stable photocatalyst for wastewater remediation.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"715 ","pages":"Article 417592"},"PeriodicalIF":2.8,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144597613","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 analysis of structural, electronic, optical, elastic and thermoelectric properties of double perovskites Cs2CuBiX6 (X=Br or I): DFT approach 双钙钛矿Cs2CuBiX6 (X=Br or I)的结构、电子、光学、弹性和热电性质的理论分析:DFT方法
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-07-07 DOI: 10.1016/j.physb.2025.417588
Iqra Yasmin Siddique , Rajwali Khan , Nasir Rahman , Salma Alshehri , M.D. Alshahrani , Wafa Mohammed Almalki , Vineet Tirth , Ali Algahtani , Mudasser Husain , Nazish , Aurangzeb Khan
{"title":"Theoretical analysis of structural, electronic, optical, elastic and thermoelectric properties of double perovskites Cs2CuBiX6 (X=Br or I): DFT approach","authors":"Iqra Yasmin Siddique ,&nbsp;Rajwali Khan ,&nbsp;Nasir Rahman ,&nbsp;Salma Alshehri ,&nbsp;M.D. Alshahrani ,&nbsp;Wafa Mohammed Almalki ,&nbsp;Vineet Tirth ,&nbsp;Ali Algahtani ,&nbsp;Mudasser Husain ,&nbsp;Nazish ,&nbsp;Aurangzeb Khan","doi":"10.1016/j.physb.2025.417588","DOIUrl":"10.1016/j.physb.2025.417588","url":null,"abstract":"<div><div>Double perovskites have attracted significant attention for renewable energy applications due to their promising optoelectronic and thermoelectric properties. In this study, we investigate the structural, mechanical, optical, and thermoelectric properties of Cs<sub>2</sub>CuBiX<sub>6</sub> (X = Br, I) using density functional theory (DFT). The compounds exhibit negative formation energies of −2.11 eV/atom and −2.08 eV/atom, respectively, confirming thermodynamic stability. Phonon dispersion analysis reveals no imaginary modes, indicating dynamical stability. Ground-state properties are obtained using the GGA, while electronic and optical properties are refined using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential, predicting indirect bandgaps of 0.903 eV and 0.648 eV for Cs<sub>2</sub>CuBiBr<sub>6</sub> and Cs<sub>2</sub>CuBiI<sub>6</sub>, respectively. Optical analyses indicate strong polarization, highlighting the potential of these materials in photovoltaic applications. Mechanical property evaluation reveals brittle behavior. Thermoelectric analysis shows that Cs<sub>2</sub>CuBiI<sub>6</sub> demonstrates superior performance, with higher Seebeck coefficient and electrical conductivity, making it a more promising candidate for energy conversion technologies.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"715 ","pages":"Article 417588"},"PeriodicalIF":2.8,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144587934","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
Mechanical response and frictional characteristics of CuCrCoFeNi coating on a Cu crystalline substrate: An atomic-scale study Cu晶体基底上CuCrCoFeNi涂层的力学响应和摩擦特性:原子尺度的研究
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-07-07 DOI: 10.1016/j.physb.2025.417586
Thanh-Nga Trinh, Anh-Son Tran, Anh-Tuan Nguyen, Van-Tuan Chu, Van-Ha Nguyen
{"title":"Mechanical response and frictional characteristics of CuCrCoFeNi coating on a Cu crystalline substrate: An atomic-scale study","authors":"Thanh-Nga Trinh,&nbsp;Anh-Son Tran,&nbsp;Anh-Tuan Nguyen,&nbsp;Van-Tuan Chu,&nbsp;Van-Ha Nguyen","doi":"10.1016/j.physb.2025.417586","DOIUrl":"10.1016/j.physb.2025.417586","url":null,"abstract":"<div><div>This research employed the molecular dynamics method to investigate the effects of composition on the mechanical characteristics of the CuCrCoFeNi alloy layer on crystalline Cu substrate during nano scratching. The mechanical properties were evaluated through common neighbor analysis (CNA), stacking faults (SFs), dislocations, coefficient of friction (μ), shear strain, and the number of wear atoms. The study provides important insights into the scratching mechanism by evaluating the effects of coating composition. The augmentation of Ni, Cr, and Fe content is associated with a decrease in the frictional coefficient and a reduction in the quantity of wear atoms. High-entropy alloys (HEAs) coatings rich in Ni, Cr, and Fe provide more effective protection of the Cu substrate.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"715 ","pages":"Article 417586"},"PeriodicalIF":2.8,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144580083","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
Co-doping of Mn and Cr in CdTe thin films: Tunable white light emission and structural stability 锰和铬在CdTe薄膜中的共掺杂:可调白光发射和结构稳定性
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-07-05 DOI: 10.1016/j.physb.2025.417567
Pujarani Parida , Jayashree Patra , Vijay Raj Singh , Ariful Rahaman , Parth Patel , Somnath Mahapatra , Santosh Kumar Sahoo , Virendra Kumar Verma
{"title":"Co-doping of Mn and Cr in CdTe thin films: Tunable white light emission and structural stability","authors":"Pujarani Parida ,&nbsp;Jayashree Patra ,&nbsp;Vijay Raj Singh ,&nbsp;Ariful Rahaman ,&nbsp;Parth Patel ,&nbsp;Somnath Mahapatra ,&nbsp;Santosh Kumar Sahoo ,&nbsp;Virendra Kumar Verma","doi":"10.1016/j.physb.2025.417567","DOIUrl":"10.1016/j.physb.2025.417567","url":null,"abstract":"<div><div>Mn and Cr co-doped CdTe thin films were synthesized using the radio frequency (RF) sputtering technique on (001) GaAs substrates. Comprehensive investigations were conducted to evaluate the structural, morphological, vibrational, and optical properties of the resulting films. X-ray diffraction (XRD) analysis confirmed that the doped CdTe thin films retained a cubic zinc blende crystal structure, indicating the successful incorporation of Mn and Cr ions into Cd lattice sites. Surface morphology and elemental composition were assessed through high-resolution scanning electron microscopy (HR-SEM) and energy-dispersive X-ray spectroscopy (EDS) mapping. The films exhibited a smooth, uniform morphology, which remained consistent across varying dopant concentrations, signifying stable film growth. Fourier-transform infrared (FTIR) spectroscopy was employed to identify functional groups present in the films, while Raman spectroscopy provided insights into the intrinsic vibrational modes associated with the CdTe lattice. Photoluminescence (PL) measurements revealed characteristic blue and green emission bands, with prominent peaks observed at 433 nm and in the 512–525 nm range, respectively. The peak shifting corresponds to the energy transitions involving Mn<sup>2+</sup> and Cr<sup>2+</sup> dopant levels. The Commission Internationale de l'Eclairage (CIE) 1931 chromaticity coordinates for the Mn-doped CdTe films were determined to be (0.30, 0.33), closely approximating pure white light emission. The co-doped films displayed white light emission with a subtle blue shift, and the corresponding correlated color temperature (CCT) was calculated to exceed 5000 K, situating the emission in the cool white light region. These results suggest that Mn, Cr co-doped CdTe thin films possess significant potential for use in optoelectronic devices, particularly in light-emitting diode (LED) applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"715 ","pages":"Article 417567"},"PeriodicalIF":2.8,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144572590","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 comparative study on the optoelectronic properties of sputtered BiFeO3 and BiMnO3 thin films as solar absorbers 溅射BiFeO3和BiMnO3薄膜作为太阳吸收剂光电性能的比较研究
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-07-05 DOI: 10.1016/j.physb.2025.417566
Rayene Merah , Warda Darenfad , Kamel Mirouh , Noubeil Guermat , Nadir Bouarissa
{"title":"A comparative study on the optoelectronic properties of sputtered BiFeO3 and BiMnO3 thin films as solar absorbers","authors":"Rayene Merah ,&nbsp;Warda Darenfad ,&nbsp;Kamel Mirouh ,&nbsp;Noubeil Guermat ,&nbsp;Nadir Bouarissa","doi":"10.1016/j.physb.2025.417566","DOIUrl":"10.1016/j.physb.2025.417566","url":null,"abstract":"<div><div>In this study, the ferroelectric materials BiFeO<sub>3</sub> (BFO) and BiMnO<sub>3</sub> (BMO) were successfully synthesized on standard glass substrates using a cost-effective spray pyrolysis method, and their optoelectronic properties were comprehensively compared for the first time. X-ray diffraction analysis revealed that BFO exhibits a rhombohedral crystal structure, while BMO adopts a monoclinic structure. Raman spectroscopy provided further confirmation of the distinct crystal structures of these films. EDS analysis confirms the presence of selective elements in the synthesized samples. Atomic force microscopy (AFM) analysis demonstrated the significant impact of these ferroelectric materials on the surface morphology. The BFO film exhibited a significantly higher surface roughness at 512.1 nm than BMO at 29.38 nm. Contact angle analysis revealed that both samples were hydrophobic, with BFO and BMO exhibiting angles of 100° and 93° respectively. UV–visible transmission spectra indicated that the BMO film had a low light transmittance at 2 % and a smaller optical band gap of 1.2 eV. Electrical characterization showed that the BMO film had the lowest electrical resistivity (ρ = 1.90 × 10<sup>+1</sup> Ω cm) with a carrier density of −2.193 × 10<sup>+14</sup> (n-type conductivity), compared to BFO with ρ = 8.344 × 10<sup>+4</sup> Ω cm and a carrier density of 9.895 × 10<sup>+11</sup> cm<sup>−3</sup> (p-type conductivity). The current-voltage (I-V) characteristics recorded for FTO/BFO/Au and FTO/NiO/BMO/Au cells showed rectifying behavior with ideality factors ranging from 2.67 to 1.38 and series resistances from 3.81 × 10<sup>+3</sup> Ω–13.32 Ω, and high contact barriers from 0.70 eV to 0.52 eV, respectively. The reduction in ideality factor and series resistance suggests that the sputter-deposited BMO improves the behavior of thin-film solar cells toward near-ideal behavior by passivating the interface states.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"715 ","pages":"Article 417566"},"PeriodicalIF":2.8,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144572584","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
The effect of the interface atomic interdiffusion on the nucleation field and energy product in hard/soft exchange-coupled bilayers: A one-dimensional micromagnetic approach 硬/软交换耦合双层中界面原子相互扩散对成核场和能积的影响:一维微磁方法
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-07-05 DOI: 10.1016/j.physb.2025.417565
P.Y. Wang , J. Wang , G.P. Zhao , Q. Zhao
{"title":"The effect of the interface atomic interdiffusion on the nucleation field and energy product in hard/soft exchange-coupled bilayers: A one-dimensional micromagnetic approach","authors":"P.Y. Wang ,&nbsp;J. Wang ,&nbsp;G.P. Zhao ,&nbsp;Q. Zhao","doi":"10.1016/j.physb.2025.417565","DOIUrl":"10.1016/j.physb.2025.417565","url":null,"abstract":"<div><div>A one-dimensional (1D) analytical model is extended to study the magnetic properties of hard/soft exchange-coupled bilayers with the interface layer, focusing on SmCo/Fe and Nd<sub>2</sub>Fe<sub>14</sub>B/Fe systems. The results show that increasing the interface layer thickness <em>t</em><sup><em>i</em></sup> enhances the nucleation field <em>H</em><sub><em>N</em></sub><em>,</em> thereby increasing the maximum energy product (<em>BH</em>)<sub>max</sub>, while simultaneously reducing the pinning field <em>H</em><sub><em>P</em></sub>. For parallel SmCo(20 nm)/Fe(10 nm) bilayers, magnetic property changes with increasing <em>t</em><sup><em>i</em></sup> predicted by the 1D model align well with experiments at higher annealing temperatures. Complementary three-dimensional (3D) micromagnetic simulations confirm that <em>H</em><sub><em>N</em></sub> increases with <em>t</em><sup><em>i</em></sup> over a wide range of interface exchange energy constants, which shows in excellent agreement with the 1D calculated results over the investigated <em>t</em><sup><em>i</em></sup> range. Meanwhile, <em>H</em><sub><em>N</em></sub> also increases with the interface exchange coupling coefficient for each specific <em>t</em><sup><em>i</em></sup>. These findings indicate that appropriate interface atomic interdiffusion enhances the exchange coupling effect between the hard and soft phases and improves magnetic performance. The 1D model also identifies optimal interface layer thicknesses for maximizing (<em>BH</em>)<sub>max</sub> in both systems. Additionally, demagnetization curves of perpendicular Nd<sub>2</sub>Fe<sub>14</sub>B/Fe bilayers from the 1D model match 3D simulation results, verifying the model's accuracy. <strong>Importantly</strong>, the 1D model developed in this work is also applicable to hard/soft exchange-coupled trilayers with varying thicknesses and magnetic parameters in each layer. In contrast to our previous design, where atoms were assumed to diffuse from the hard phase into the soft phase, resulting in the interface layer being located on the soft phase side, this study considers mutual diffusion between the two phases, with the interface layer symmetrically distributed between them.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"715 ","pages":"Article 417565"},"PeriodicalIF":2.8,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144579334","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
Effects of the addition of metalloids (P, Si, Ge) on the geometric and electronic structures and magnetic properties of Co-based amorphous alloys 类金属(P, Si, Ge)的加入对co基非晶合金几何、电子结构和磁性能的影响
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-07-05 DOI: 10.1016/j.physb.2025.417580
Shuwei Lu
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