2D Materials最新文献_第3页

Orbital magnetization in two-dimensional materials from high-throughput computational screening 通过高通量计算筛选二维材料中的轨道磁化

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-08-22 DOI: 10.1088/2053-1583/ad6ba3

Martin Ovesen, Thomas Olsen

{"title":"Orbital magnetization in two-dimensional materials from high-throughput computational screening","authors":"Martin Ovesen, Thomas Olsen","doi":"10.1088/2053-1583/ad6ba3","DOIUrl":"https://doi.org/10.1088/2053-1583/ad6ba3","url":null,"abstract":"We calculate the orbital magnetization of 822 two-dimensional magnetic materials from the Computational 2D Materials Database (C2DB). For compounds containing 5<italic toggle=\"yes\">d</italic> elements we find orbital moments of the order of 0.3–0.5 <inline-formula>\u0000<tex-math><?CDATA $mu_{mathrm{B}}$?></tex-math><mml:math overflow=\"scroll\"><mml:mrow><mml:msub><mml:mi>μ</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant=\"normal\">B</mml:mi></mml:mrow></mml:mrow></mml:msub></mml:mrow></mml:math><inline-graphic xlink:href=\"tdmad6ba3ieqn1.gif\"></inline-graphic></inline-formula>, which points to the necessity of including these in any type of magnetic modeling and comparison with experiments. It is also shown that the alignment of orbital moments with respect to the spin largely follows the predictions from Hund’s rule and that deviations may be explained by the <italic toggle=\"yes\">d</italic>-band splitting originating from the crystal field—for example in the important case of CrI3. Finally, we show that for certain insulators, Hubbard corrections may lead to large and fully unquenched orbital moments that are pinned to the lattice rather than the spin and that these moments can lead to enormous magnetic anisotropies. Such unquenched ground states are only found from density functional theory calculations that include both Hubbard corrections and self-consistent spin–orbit coupling and largely invalidates the use of the magnetic force theorem for calculating magnetic anisotropies.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"45 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Perspectives on 2D materials for hybrid and beyond-Si image sensor applications 二维材料在混合和超越硅图像传感器应用中的前景

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-08-14 DOI: 10.1088/2053-1583/ad6912

Haochuan Wan, Zhihao Xu, Yiheng Zhang, Junyi Zhao, Chuan Wang

{"title":"Perspectives on 2D materials for hybrid and beyond-Si image sensor applications","authors":"Haochuan Wan, Zhihao Xu, Yiheng Zhang, Junyi Zhao, Chuan Wang","doi":"10.1088/2053-1583/ad6912","DOIUrl":"https://doi.org/10.1088/2053-1583/ad6912","url":null,"abstract":"The complementary metal–oxide–semiconductor (CMOS) image sensor has become essential and ubiquitous in our daily lives as it is present in almost every pocket. As demand for compact, multifunction, and high-efficiency Internet of Things applications continues to rise, novel configuration designs and manufacturing methods, such as neural network integration and 3D stacking have been implemented to enhance the CMOS image sensor’s (CIS) performance. However, the progress of image sensors based on silicon CMOS technology would eventually be limited by the intrinsic optical, electrical, and mechanical properties of silicon material. This has led to the exploration of two-dimensional materials (2DMs) and the emergence of 2DMs as promising candidates for the next generation of optoelectronic devices. In this article, we discuss the current advancements and challenges associated with silicon CISs and the potential benefits of incorporating 2DMs in the image sensor. We highlight three critical opportunities for 2DMs, including Si CMOS/2DMs hybrid structure and direct growth techniques of 2DMs on Si for back-end-of-line integration, 2DMs-based neuromorphic photodetectors (PDs) and optical neural networks for in-image-sensor-processing, and curved image sensor based on 2DMs PDs for bionic detection. With the growing maturity of 2DM technologies, we anticipate that the device scaling and the increase of integration density of 2DM electronics in the image sensor will continue, leading to the development of highly efficient, compact, intelligent, and versatile 2DM image sensors in the near future.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"61 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198545","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Valley landau level crossings in weakly coupled bilayer WSe2 弱耦合双层 WSe2 中的山谷朗道水平交叉

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-08-14 DOI: 10.1088/2053-1583/ad6b80

Shiwei Li, Xinyu Cao, Qi Zhang, Yan Huang, Guangli Kuang, Chuanying Xi, Kenji Watanabe, Takashi Taniguchi, Geliang Yu, Lei Wang

{"title":"Valley landau level crossings in weakly coupled bilayer WSe2","authors":"Shiwei Li, Xinyu Cao, Qi Zhang, Yan Huang, Guangli Kuang, Chuanying Xi, Kenji Watanabe, Takashi Taniguchi, Geliang Yu, Lei Wang","doi":"10.1088/2053-1583/ad6b80","DOIUrl":"https://doi.org/10.1088/2053-1583/ad6b80","url":null,"abstract":"WSe2 is a p-type 2D-semiconductor that can be mechanically exfoliated down to atomic layers. Unlike the Bernal stacked bilayer graphene, the two layers in a bilayer WSe2 flake are weakly coupled. The electric displacement field can easily break the layer degeneracy of the bilayer WSe2. Together with the strong spin–orbit coupling, it exhibits many novel quantum physical properties. In this work, we fabricate high quality dual-gated bilayer WSe2 devices and observe twofold degenerate Landau levels(LLs) and density-dependent quantum Hall states which show transitions between even and odd filling. When introducing carriers into the system from the valence band edge by gating, two WSe2 layers are filled independently and the bottom layer WSe2 shows negative compressibility at the crossover point. Above 9 T, we observe the degeneracy of LLs is completely broken and there are two sets of LL crossings in the top WSe2 layer at Zeeman-to-cyclotron energy ratio <inline-formula>\u0000<tex-math><?CDATA $E_Z/E_N$?></tex-math><mml:math overflow=\"scroll\"><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mi>Z</mml:mi></mml:msub><mml:mrow><mml:mo>/</mml:mo></mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mi>N</mml:mi></mml:msub></mml:mrow></mml:math><inline-graphic xlink:href=\"tdmad6b80ieqn1.gif\"></inline-graphic></inline-formula> ≈ 4 and <inline-formula>\u0000<tex-math><?CDATA $E_Z/E_N$?></tex-math><mml:math overflow=\"scroll\"><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mi>Z</mml:mi></mml:msub><mml:mrow><mml:mo>/</mml:mo></mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mi>N</mml:mi></mml:msub></mml:mrow></mml:math><inline-graphic xlink:href=\"tdmad6b80ieqn2.gif\"></inline-graphic></inline-formula> ≈ 5. The interplay between two LLs from the two WSe2 layers confirms the weak coupling between them. Our results show that the bilayer WSe2 behave like two closely packed independent electronic systems under electric displacement fields.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"26 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Reduced graphene oxide-modified electrodes via fused deposition modeling 3D printing for hydrogen peroxide sensor 通过熔融沉积建模 3D 打印技术将还原氧化石墨烯修饰电极用于过氧化氢传感器

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-08-08 DOI: 10.1088/2053-1583/ad6910

Yan Dou, Rui Dai, Haofan Sun, Kun Bi, Xin Zhao and Qiong Nian

引用次数: 0

Graphene-nuclear nexus: a critical review 石墨烯与核的关系：重要综述

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-07-18 DOI: 10.1088/2053-1583/ad5bf0

Shahid Rabbani, Zahid Ahmed Qureshi, Akram Alfantazi, Ahmed K Alkaabi, Saeed A Alameri, Yacine Addad, Yarjan Abdul Samad and Imran Afgan

{"title":"Graphene-nuclear nexus: a critical review","authors":"Shahid Rabbani, Zahid Ahmed Qureshi, Akram Alfantazi, Ahmed K Alkaabi, Saeed A Alameri, Yacine Addad, Yarjan Abdul Samad and Imran Afgan","doi":"10.1088/2053-1583/ad5bf0","DOIUrl":"https://doi.org/10.1088/2053-1583/ad5bf0","url":null,"abstract":"Graphene, a remarkable material with exceptional properties, has been at the forefront of extensive scientific research in the past two decades, leading to a vast array of proposed applications. The material’s structural strength, superior thermal and electrical conductivity, anti-corrosion properties, and versatile sensor capabilities has made it an exceedingly desirable option for various functions in the nuclear industry. However, despite the increasing interest in graphene’s potential uses in the nuclear industry, a comprehensive and detailed review of its possible applications in this context is still missing. This article endeavours to bridge this gap by presenting a thorough analysis of the potential applications of graphene in the nuclear industry. Specifically, its applications to pre-reactor treatments, fuel enrichment, heavy water preparation, filtration, radionuclide waste conditioning, monitoring through sensors, augmented heat transfer and corrosion prevention. These areas offer numerous opportunities for graphene-based materials to enhance the efficiency, safety, and reliability of nuclear power plants. This article not only illuminates the exciting opportunities of graphene usage in the nuclear field but also serves as a valuable resource for researchers, policymakers and stakeholders seeking to leverage the unique properties of graphene to drive innovation and advancement in the nuclear industry.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"57 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141744393","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Two-dimensional iron oxide/graphene-based nanocomposites as high-performance solid lubricants 作为高性能固体润滑剂的二维氧化铁/石墨烯基纳米复合材料

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-07-11 DOI: 10.1088/2053-1583/ad5f3f

Pratik S Kasbe, Muxuan Yang, Juan Bosch, Jinyu Bu, Christopher DellaCorte and Weinan Xu

{"title":"Two-dimensional iron oxide/graphene-based nanocomposites as high-performance solid lubricants","authors":"Pratik S Kasbe, Muxuan Yang, Juan Bosch, Jinyu Bu, Christopher DellaCorte and Weinan Xu","doi":"10.1088/2053-1583/ad5f3f","DOIUrl":"https://doi.org/10.1088/2053-1583/ad5f3f","url":null,"abstract":"Beyond conventional 2D layered materials such as graphene and transition metal dichalcogenides, 2D metal oxides have also received much interest in recent years. They have unique electronic (such as 2D TiO2 and MoO2), catalytic (such as 2D CeO2 and MnO2), and magnetic properties (such as 2D Fe2O3) compared with bulk metal oxides due to their atomically thin structures. Certain types of 2D metal oxides also have the potential to be a new type of high-performance solid lubricants due to the tunable interlayer interaction and possibility for 2D heterostructure formation, but this remains largely unexplored. In this work, we developed a scalable microwave-assisted solid-state synthesis of 2D Fe2O3 and their nanocomposites with reduced graphene oxide (rGO). The 2D Fe2O3/rGO nanocomposites were systematically characterized by electron microscopies and spectroscopies, and their utilization as solid lubricants was studied by pin-on-disk tribometer on both silicon and steel substrates. The results show that due to the easy sliding between 2D Fe2O3 and rGO nanosheets and their unique magnetic-induced assembled morphology, low coefficient of friction (COF) can be achieved for both steel-silicon and steel-steel interfaces. Superlubricity (COF ∼ 0.007) can be achieved for the 2D Fe2O3/rGO nanocomposite with a GO primer layer on a steel substrate. This work provides new insights into the development of functional 2D nanocomposites and expands their applications to solid lubrication and beyond.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"24 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Towards revealing intrinsic vortex-core states in Fe-based superconductors through statistical discovery 通过统计发现揭示铁基超导体中的内在涡核状态

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-07-10 DOI: 10.1088/2053-1583/ad5e92

Yueming Guo, Hu Miao, Qiang Zou, Mingming Fu, Athena S Sefat, Andrew R Lupini, Sergei V Kalinin and Zheng Gai

引用次数: 0

Development and optimization of large-scale integration of 2D material in memristors 开发和优化大规模集成二维材料的忆阻器

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-07-04 DOI: 10.1088/2053-1583/ad5bd6

Clotilde Ligaud, Lucie Le Van-Jodin, Bruno Reig, Pierre Trousset, Paul Brunet, Michaël Bertucchi, Clémence Hellion, Nicolas Gauthier, Le Van-Hoan, Hanako Okuno, Djordje Dosenovic, Stéphane Cadot, Remy Gassilloud and Matthieu Jamet

{"title":"Development and optimization of large-scale integration of 2D material in memristors","authors":"Clotilde Ligaud, Lucie Le Van-Jodin, Bruno Reig, Pierre Trousset, Paul Brunet, Michaël Bertucchi, Clémence Hellion, Nicolas Gauthier, Le Van-Hoan, Hanako Okuno, Djordje Dosenovic, Stéphane Cadot, Remy Gassilloud and Matthieu Jamet","doi":"10.1088/2053-1583/ad5bd6","DOIUrl":"https://doi.org/10.1088/2053-1583/ad5bd6","url":null,"abstract":"Two-dimensional (2D) materials like transition metal dichalcogenides (TMD) have proved to be serious candidates to replace silicon in several technologies with enhanced performances. In this respect, the two remaining challenges are the wafer scale growth of TMDs and their integration into operational devices using clean room compatible processes. In this work, two different CMOS-compatible protocols are developed for the fabrication of MoS2-based memristors, and the resulting performances are compared. The quality of MoS2 at each stage of the process is characterized by Raman spectroscopy and x-ray photoemission spectroscopy. In the first protocol, the structure of MoS2 is preserved during transfer and patterning processes. However, a polymer layer with a minimum thickness of 3 nm remains at the surface of MoS2 limiting the electrical switching performances. In the second protocol, the contamination layer is completely removed resulting in improved electrical switching performances and reproducibility. Based on physico-chemical and electrical results, the switching mechanism is discussed in terms of conduction through grain boundaries.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"9 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141553260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Versatile fitting approach for operando spectroscopic imaging ellipsometry of HfS2 oxidation 用于 HfS2 氧化操作光谱成像椭偏仪的多功能拟合方法

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-07-01 DOI: 10.1088/2053-1583/ad58f1

Irina Chircă, AbdulAziz AlMutairi, Barat Achinuq, Rongsheng Cai, Sarah J Haigh and Stephan Hofmann

{"title":"Versatile fitting approach for operando spectroscopic imaging ellipsometry of HfS2 oxidation","authors":"Irina Chircă, AbdulAziz AlMutairi, Barat Achinuq, Rongsheng Cai, Sarah J Haigh and Stephan Hofmann","doi":"10.1088/2053-1583/ad58f1","DOIUrl":"https://doi.org/10.1088/2053-1583/ad58f1","url":null,"abstract":"Facile mapping of 2D heterostructures and resolving anisotropic formation kinetics down to the monolayer level are critical to developing scalable interfacing solutions and unlocking their application potential in emerging nano-optoelectronics. We adapt a Kramers–Kronig constrained variational fitting algorithm for spectroscopic imaging ellipsometry (SIE) to facilitate multi-scale heterostructure analysis comprising films with unknown complex dielectric functions and demonstrate how this enables non-destructive, scalable mapping and operando capability for the model system of HfS2 oxidation. This methodology proves highly accurate for assessing the thickness of buried HfS2 layers, oxide quality, and lateral and vertical uniformity. We capture dynamic stack evolution during thermal oxidation up to 400 ∘C, providing insights into the temperature and time-dependent nature of self-limiting oxide growth and reaction kinetics that involve the localised trapping and release of sulphur reaction products. Our methodology is versatile in material and device horizons, and advantageously agnostic to the underlying substrate. Combined with the various modes of SIE operation, it unlocks fast, high-throughput, large-area capability to accelerate process development at the atomic scale.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"24 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141501426","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Giant asymmetric proximity-induced spin–orbit coupling in twisted graphene/SnTe heterostructure 扭曲石墨烯/硒碲异质结构中巨大的非对称接近性诱导自旋轨道耦合

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-06-27 DOI: 10.1088/2053-1583/ad59b4

Marko Milivojević, Martin Gmitra, Marcin Kurpas, Ivan Štich and Jaroslav Fabian

{"title":"Giant asymmetric proximity-induced spin–orbit coupling in twisted graphene/SnTe heterostructure","authors":"Marko Milivojević, Martin Gmitra, Marcin Kurpas, Ivan Štich and Jaroslav Fabian","doi":"10.1088/2053-1583/ad59b4","DOIUrl":"https://doi.org/10.1088/2053-1583/ad59b4","url":null,"abstract":"We analyze the spin–orbit coupling effects in a 3∘-degree twisted bilayer heterostructure made of graphene and an in-plane ferroelectric SnTe, with the goal of transferring the spin–orbit coupling from SnTe to graphene, via the proximity effect. Our results indicate that the point-symmetry breaking due to the incompatible mutual symmetry of the twisted monolayers and a strong hybridization has a massive impact on the spin splitting in graphene close to the Dirac point, with the spin splitting values greater than 20 meV. The band structure and spin expectation values of graphene close to the Dirac point can be described using a symmetry-free model, triggering different types of interaction with respect to the threefold symmetric graphene/transition-metal dichalcogenide heterostructure. We show that the strong hybridization of the Dirac cone’s right movers with the SnTe band gives rise to a large asymmetric spin splitting in the momentum space. Furthermore, we discover that the ferroelectricity-induced Rashba spin–orbit coupling in graphene is the dominant contribution to the overall Rashba field, with the effective in-plane electric field that is almost aligned with the (in-plane) ferroelectricity direction of the SnTe monolayer. We also predict an anisotropy of the in-plane spin relaxation rates. Our results demonstrate that the group-IV monochalcogenides MX (M = Sn, Ge; X = S, Se, Te) are a viable alternative to transition-metal dichalcogenides for inducing strong spin–orbit coupling in graphene.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"3 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141517792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0