Hannah C. Nerl, Juan Pablo Guerrero-Felipe, Ana M. Valencia, Khairi Fahad Elyas, Katja Höflich, Christoph T. Koch, Caterina Cocchi
{"title":"Mapping the energy-momentum dispersion of hBN excitons and hybrid plasmons in hBN-WSe2 heterostructures","authors":"Hannah C. Nerl, Juan Pablo Guerrero-Felipe, Ana M. Valencia, Khairi Fahad Elyas, Katja Höflich, Christoph T. Koch, Caterina Cocchi","doi":"10.1038/s41699-024-00500-w","DOIUrl":"10.1038/s41699-024-00500-w","url":null,"abstract":"Heterostructures obtained by combining two-dimensional (2D) sheets are widely investigated as a platform for designing new materials with customised characteristics. Transition metal dichalcogenides (TMDCs) are often combined with hexagonal boron nitride (hBN) to enhance their excitonic resonances. However, little is known about how stacking affects excitons and plasmons in TMDCs or their mutual interactions. Here, we combine momentum-resolved electron energy-loss spectroscopy with first-principles calculations to study the energy-momentum dispersion of plasmons in multi-layer WSe2-hBN heterostructures as well as in their isolated components. The dispersion of the high-momentum excitons of hBN, alone and in combination with WSe2, is mapped across the entire Brillouin zone. Signatures of hybridisation in the plasmon resonances and some of the excitons suggest that the contribution of hBN cannot be neglected when interpreting the response of such a heterostructure. The consequences of using hBN as an encapsulant for TMDCs are also discussed.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-11"},"PeriodicalIF":9.1,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00500-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142519199","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jennifer Schmeink, Jens Osterfeld, Osamah Kharsah, Stephan Sleziona, Marika Schleberger
{"title":"Unraveling the influence of defects in Janus MoSSe and Janus alloys MoS2(1−x)Se2x","authors":"Jennifer Schmeink, Jens Osterfeld, Osamah Kharsah, Stephan Sleziona, Marika Schleberger","doi":"10.1038/s41699-024-00504-6","DOIUrl":"10.1038/s41699-024-00504-6","url":null,"abstract":"We investigate the effect of structural and substitutional defects in Janus MoSSe and the Janus alloys MoS2(1−x)Se2x by a comprehensive analysis. Distinct Raman signatures are associated with various defect types and densities, mirroring the evolution from MoSe2 to Janus alloys to ideal Janus MoSSe. By the corresponding stoichiometrical and structural changes, the band gap can be tuned from 1.50 eV up to 1.68 eV at room temperature. Electrical characterization in a field effect device uncovers the impact of defects on conductivity, mobility (up to 2.42 × 10−3 cm2 V−1 s−1), and threshold voltages. A decrease of n-type doping of 5.3 × 1011 cm−2 in Janus MoSSe compared to the Janus alloy points towards an increased work function and a reduction of defects. Our findings deepen the understanding of defect physics in 2D Janus materials and pave the way for tailored defect engineering strategies for advanced (opto-)electronic applications.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-10"},"PeriodicalIF":9.1,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00504-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142431087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Author Correction: Mechanically-tunable bandgap closing in 2D graphene phononic crystals","authors":"Jan N. Kirchhof, Kirill I. Bolotin","doi":"10.1038/s41699-024-00505-5","DOIUrl":"10.1038/s41699-024-00505-5","url":null,"abstract":"","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-1"},"PeriodicalIF":9.1,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00505-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142431088","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Chalcogen and halogen surface termination coverage in MXenes—structure, stability, and properties","authors":"Martin Dahlqvist, Johanna Rosen","doi":"10.1038/s41699-024-00502-8","DOIUrl":"10.1038/s41699-024-00502-8","url":null,"abstract":"MXenes are a diverse family of two-dimensional (2D) transition metal carbides, nitrides, and carbonitrides. They can be synthesized through both top-down approaches, such as selective etching of A-layers from MAX phases using acids or molten salts, and bottom-up approaches, such as direct synthesis using chemical vapor deposition. However, the degree of the surface termination coverage depends on the synthesis route and is one key parameter for controlling its properties. This study focuses on halogen- and chalcogen-terminated MXenes, particularly M2CTx where M = Ti, Zr, V, Nb, Ta, and T = S, Se, Te, Cl, Br, I, and with surface termination coverage ranging from 100% (ideal, x = 2) to 50% (x = 1). The incorporation of oxygen on vacant termination sites was also evaluated. Using density functional theory (DFT) calculations, we investigated the structural, electronic, and mechanical properties of these MXenes. Our findings reveal that non-ideal termination coverage (x < 2) is more favorable for MXenes terminated with a larger size of T, such as Ti2CBrx, Nb2CClx, and Ta2CClx, and leads to mixed termination sites and lower binding energies. A reduced binding energy may facilitate delamination into single sheets, however, too low termination coverage may also cause structural collapse. Electronic properties showed an increased number of states at the Fermi level under non-ideal coverage, potentially enhancing the conductivity. Mechanically, we find the moduli of MXenes to be comparable to other 2D materials, such as transition metal chalcogenides and hexagonal boron nitride, indicating their suitability for applications requiring flexibility and durability. This study underscores the potential of tailoring MXene properties through precise control of termination coverage and composition, paving the way for enhanced application-specific performance.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-13"},"PeriodicalIF":9.1,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00502-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142377213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
R. Roemer, D. H. D. Lee, S. Smit, X. Zhang, S. Godin, V. Hamza, T. Jian, J. Larkin, H. Shin, C. Liu, M. Michiardi, G. Levy, Z. Zhang, R. J. Green, C. Kim, D. Muller, A. Damascelli, M. J. Han, K. Zou
{"title":"Unraveling the electronic structure and magnetic transition evolution across monolayer, bilayer, and multilayer ferromagnetic Fe3GeTe2","authors":"R. Roemer, D. H. D. Lee, S. Smit, X. Zhang, S. Godin, V. Hamza, T. Jian, J. Larkin, H. Shin, C. Liu, M. Michiardi, G. Levy, Z. Zhang, R. J. Green, C. Kim, D. Muller, A. Damascelli, M. J. Han, K. Zou","doi":"10.1038/s41699-024-00499-0","DOIUrl":"10.1038/s41699-024-00499-0","url":null,"abstract":"Two-dimensional (2D) van der Waals (vdW) magnets have sparked widespread attention due to their potential in spintronic applications as well as in fundamental physics. Ferromagnetic vdW compound Fe3GeTe2 (FGT) and its Ga variants have garnered significant interest due to their itinerant magnetism, correlated states, and high magnetic transition temperature. Experimental studies have demonstrated the tunability of FGT’s Curie temperature, TC, through adjustments in quintuple layer numbers (QL) and carrier concentrations, n. However, the underlying mechanism remains elusive. In this study, we employ molecular beam epitaxy (MBE) to synthesize 2D FGT films down to 1 QL with precise layer control, facilitating an exploration of the band structure and the evolution of itinerant carrier density. Angle-resolved photoemission spectroscopy (ARPES) reveals significant band structure changes at the ultra-thin limit, while first-principles calculations elucidate the band evolution from 1 QL to bulk, largely governed by interlayer coupling. Additionally, we find that n is intrinsically linked to the number of QL and temperature, with a critical value triggering the magnetic phase transition. Our findings underscore the pivotal role of band structure and itinerant electrons in governing magnetic phase transitions in such 2D vdW magnetic materials.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-8"},"PeriodicalIF":9.1,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00499-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142377215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Phonon transport manipulation in TiSe2 via reversible charge density wave melting","authors":"Martí Raya-Moreno, Claudio Cazorla, Enric Canadell, Riccardo Rurali","doi":"10.1038/s41699-024-00501-9","DOIUrl":"10.1038/s41699-024-00501-9","url":null,"abstract":"Titanium diselenide (TiSe2) is a layered material that under a critical temperature of Tc ≈ 200 K features a periodic modulation of the electron density, known as charge density wave (CDW), which finds applications in quantum information and emerging electronic devices. Here, we present first-principles calculations showing the suppression of the CDW via photoexcitation and consequent stabilization of the undistorted high-temperature phase, in agreement with experimental observations. Interestingly, the unfolded CDW melting is accompanied by a sizable reduction in the thermal conductivity, κ, of up to 25% and a large entropy increase of ~10 J K−1 kg−1. The significant κ variation is almost entirely originated from photoinduced changes in the phonon–phonon scattering processes involving a high-symmetry soft phonon mode. Our results open new possibilities in the design of devices for thermal management and phonon-based logic, and suggest original applications in the of context solid-state cooling.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-9"},"PeriodicalIF":9.1,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00501-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142377214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yuanyuan Cui, Tingjun Wang, Deng Hu, Zhiwei Wang, Jiawang Hong, Xueyun Wang
{"title":"Piezoelectricity in NbOI2 for piezotronics and nanogenerators","authors":"Yuanyuan Cui, Tingjun Wang, Deng Hu, Zhiwei Wang, Jiawang Hong, Xueyun Wang","doi":"10.1038/s41699-024-00498-1","DOIUrl":"10.1038/s41699-024-00498-1","url":null,"abstract":"2-dimensional (2D) piezoelectric materials have gained significant attention due to their potential applications in flexible energy harvesting and storage devices. Recently, niobium oxide dihalides NbOI2 stands out as a multifunctional anisotropic semiconductor family with an exceptionally high lateral piezoelectric constant (~21.8 pm/V), making it a promising candidate for energy conversion applications. Here we report the experimental observation of anisotropic in-plane piezoelectricity in multilayer NbOI2. Current-voltage relationships reveal a significant piezotronic effect in two typical crystalline orientations. Additionally, cyclic tensile and release experiments demonstrate an intrinsic current output of up to 140 pA when subjected to a tensile strain of 0.51%. A flexible piezoelectric nanogenerator prototype is demonstrated on the human finger and wrist, which opens up new avenues for the development of wearable electronic devices and provides valuable insights for further exploration in this field.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-6"},"PeriodicalIF":9.1,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00498-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142236065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Borna Pielić, Matko Mužević, Dino Novko, Jiaqi Cai, Alice Bremerich, Robin Ohmann, Marko Kralj, Iva Šrut Rakić, Carsten Busse
{"title":"Probing the interplay of interactions, screening and strain in monolayer MoS2 via self-intercalation","authors":"Borna Pielić, Matko Mužević, Dino Novko, Jiaqi Cai, Alice Bremerich, Robin Ohmann, Marko Kralj, Iva Šrut Rakić, Carsten Busse","doi":"10.1038/s41699-024-00488-3","DOIUrl":"10.1038/s41699-024-00488-3","url":null,"abstract":"Controlling many-body interactions in two-dimensional systems remains a formidable task from the perspective of both fundamental physics and application. Here, we explore remarkable electronic structure alterations of MoS2 monolayer islands on graphene on Ir(111) induced by non-invasive self-intercalation. This introduces significant differences in morphology and strain of MoS2 as a result of the modified interaction with the substrate. Consequently, considerable changes of the band gap and non-rigid electronic shifts of valleys are detected, which are a combined effect of the screening of the many-body interactions and strain in MoS2. Furthermore, theory shows that each substrate leaves a unique stamp on the electronic structure of two-dimensional material in terms of those two parameters, restricted by their correlation.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-7"},"PeriodicalIF":9.1,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00488-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142174404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Athanasios Paralikis, Claudia Piccinini, Abdulmalik A. Madigawa, Pietro Metuh, Luca Vannucci, Niels Gregersen, Battulga Munkhbat
{"title":"Tailoring polarization in WSe2 quantum emitters through deterministic strain engineering","authors":"Athanasios Paralikis, Claudia Piccinini, Abdulmalik A. Madigawa, Pietro Metuh, Luca Vannucci, Niels Gregersen, Battulga Munkhbat","doi":"10.1038/s41699-024-00497-2","DOIUrl":"10.1038/s41699-024-00497-2","url":null,"abstract":"Quantum emitters in transition metal dichalcogenides (TMDs) have recently emerged as a promising platform for generating single photons for optical quantum information processing. In this work, we present an approach for deterministically controlling the polarization of fabricated quantum emitters in a tungsten diselenide (WSe2) monolayer. We employ novel nanopillar geometries with long and sharp tips to induce a controlled directional strain in the monolayer, and we report on fabricated WSe2 emitters producing single photons with a high degree of polarization (99 ± 4%) and high purity (g(2)(0) = 0.030 ± 0.025). Our work paves the way for the deterministic integration of TMD-based quantum emitters for future photonic quantum technologies.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-8"},"PeriodicalIF":9.1,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00497-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142174379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nan Wu, Xiangchen Hu, Yinliang Tang, Congcong Wu, Yu Chen, Yiyuan Ren, Zhuo Zhang, Yi Yu, Hung-Ta Wang
{"title":"Metastable square Bismuth allotrope oriented by six-fold symmetric mica","authors":"Nan Wu, Xiangchen Hu, Yinliang Tang, Congcong Wu, Yu Chen, Yiyuan Ren, Zhuo Zhang, Yi Yu, Hung-Ta Wang","doi":"10.1038/s41699-024-00495-4","DOIUrl":"10.1038/s41699-024-00495-4","url":null,"abstract":"Layered bismuth (Bi) has been focused on two Peierls distortion derivatives, i.e., bulk stable β-phase (A7 phase), black phosphorus-like α-phase (A17 phase), and their mutated structures. Metastable structures beyond Peierls distortion system are yet rarely accessible. Here, Bi in square symmetry ( $${C}_{4v}$$ ), called s-Bi, was grown via physical vapor deposition. The co-existence of three 120°-associated s-Bi crystal grains was analyzed using transmission electron microscopy. 120°-oriented one-dimensional (1D) nuclei indicate s-Bi heteroepitaxy on six-fold symmetric ( $${C}_{6v}$$ ) mica (001). A subsequent nanorod-like nuclei coalescing could promote a morphology evolution, resulting in triangular or hexagonal nanosheets with the unique triple s-Bi structure suitable for later β-Bi growth. Lattice misfit and strain calculations suggest a supercell match between $$4times 7$$ s-Bi and $$3times 3$$ mica (001). This work demonstrates the metastable s-Bi structure via anisotropic heteroepitaxy of $${C}_{4v}$$ s-Bi on $${C}_{6v}$$ mica.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-9"},"PeriodicalIF":9.1,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00495-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142174416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}