{"title":"Density functional theory calculations of mechanical and electronic properties of W1−xTaxN6, W1−xMoxN6, and Mo1−xTaxN6 (0 ≤ x ≤ 1) alloys in a hexagonal structure","authors":"S. R. Kandel, D. Gall, S. V. Khare","doi":"10.1116/6.0002923","DOIUrl":"https://doi.org/10.1116/6.0002923","url":null,"abstract":"In this study, we report the structural, energetic, mechanical, electronic, thermal, and magnetic properties of W1−xTaxN6, W1−xMoxN6, and Mo1−xTaxN6 (0 ≤ x ≤ 1) alloys in a hexagonal structure (space group: R3¯m) determined using density functional theory–based first-principles calculations. These compounds are mechanically stable, whereas W0.33Ta0.66N6 is vibrationally unstable. Among both mechanically and vibrationally stable compounds, W0.66Ta0.33N6 and W0.66Mo0.33N6 have the highest hardness of 55 GPa, while the softest alloy (Mo0.33Ta0.66N6) exhibits 46 GPa, indicating new potential super hard materials. The high hardness in these materials is attributed to the combined effect of covalent N–N bonding of hexagonal rings and a metal to nitrogen charge transfer. Only two alloys, W0.33Mo0.66N6 and W0.66Mo0.33N6, are semiconducting alloys with electronic bandgaps of 1.82 and 1.92 eV, respectively. A significant magnetic moment of 0.82 μB per unit metal was calculated for W0.66Mo0.33N6.","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":"26 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136381800","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}
Alyson Spitzig, Jennifer E. Hoffman, Jason D. Hoffman
{"title":"Ultrathin VO2 grown with oxygen plasma molecular beam epitaxy on TiO2 (001) and Al2O3 (0001)","authors":"Alyson Spitzig, Jennifer E. Hoffman, Jason D. Hoffman","doi":"10.1116/6.0003096","DOIUrl":"https://doi.org/10.1116/6.0003096","url":null,"abstract":"Bulk VO2 undergoes an insulator-to-metal transition (IMT) with up to five orders of magnitude change in the resistance at 340 K. However, when VO2 is deposited as a film on a substrate, the strain from the substrate can alter the IMT temperature, resistivity ratio of IMT, and hysteresis. Here, we present single-phase VO2 ultrathin films (thickness less than 20 nm) grown using oxygen plasma molecular beam epitaxy (MBE) on TiO2 (001) and Al2O3 (0001) substrates. First, we modify existing recipes employing ozone MBE and reproduce the best films from literature on TiO2 (001), maintaining an almost three orders of magnitude transition in a 12 nm thick film with TIMT of 308 K (296 K) upon warming (cooling). We then extend our recipe to Al2O3 (0001) substrates where we stabilize a 12 nm thin single-phase VO2 film and observe two orders of magnitude transition at 337 K (329 K) upon warming (cooling), expanding the possible growth methods for ultrathin VO2 films on Al2O3 (0001).","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":"498 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135111503","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}
Won-Jun Jang, Min Hui Chang, Min Jeong Kang, Young Jae Song, Se-Jong Kahng
{"title":"Standing wave patterns in graphene systems studied using scanning tunneling spectroscopy","authors":"Won-Jun Jang, Min Hui Chang, Min Jeong Kang, Young Jae Song, Se-Jong Kahng","doi":"10.1116/6.0003075","DOIUrl":"https://doi.org/10.1116/6.0003075","url":null,"abstract":"Standing wave patterns are formed near potential barriers or steps due to the interference of incident and reflected waves. Graphene systems show standing wave patterns near atomic step edges, defects, and impurities in scanning tunneling microscopy; however, there are still unexplored examples. In this study, we present our experimental results for graphene directly grown on hexagonal-BN/Cu by chemical vapor deposition. Standing wave patterns were observed in our scanning tunneling microscopy and spectroscopy, revealing linear dispersion relations with a Fermi velocity of about 106 m/s. Our study shows that graphene grown on hexagonal-BN/Cu provides a useful platform to study the electronic characteristics of graphene systems.","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":"63 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135779249","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}
{"title":"Core-shell metallic nanotube arrays for highly sensitive surface-enhanced Raman scattering (SERS) detection","authors":"Jinn P. Chu, Yi-Jui Yeh, Chih-Yu Liu, Yi-Xiang Yang, Alfreda Krisna Altama, Ting-Hao Chang, Wei-Hung Chiang, Pakman Yiu, Kuo-Lun Tung","doi":"10.1116/6.0003055","DOIUrl":"https://doi.org/10.1116/6.0003055","url":null,"abstract":"Here, we demonstrate the application of highly ordered, periodic Ag/Au core-shell triangle nanotube arrays as an ultrasensitive and low-cost surface-enhanced Raman scattering (SERS) substrate for the first time. The arrays of core-shell nanotube, with an outer diameter of 1.5 μm, were fabricated using top-down wafer-scale lithography followed by sequential sputter deposition of Ag and Au. The SERS activity of various combinations of core-shell structures was evaluated. It was found that Ag-core nanotubes overlaid with the Au-shell resulted in the highest Raman intensity, where the enhancement factor for R6G as a probe molecule is determined to be 1.38 × 107. Meanwhile, the limit of detections for R6G and ketoprofen analytes was evaluated to be 10−10 and 10−6 M, respectively. Linear correlations between the SERS signal intensities and logarithmical scale of both analytes in different concentrations were also established, ranging 10−4–10−10 and 10−2–10−6 M for R6G and ketoprofen, respectively. The Raman R6G peak intensity mapping suggests our metal nanotube arrays act as effective plasmonic hotspots and, thus, are useful for SERS sensing applications.","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136033516","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}
{"title":"Investigation of mechanical and microstructural properties of sputter-deposited Zr-Ni3Al coatings","authors":"Sunil Kumar Tiwari, Akula Umamaheswara Rao, Archana Singh Kharb, Vipin Chawla, Neha Sardana, Devesh Kumar Avasthi, Amit Kumar Chawla","doi":"10.1116/6.0003022","DOIUrl":"https://doi.org/10.1116/6.0003022","url":null,"abstract":"Zr-doped Ni3Al alloy coatings were deposited on a silicon substrate using DC magnetron cosputtering at a substrate temperature of 400 °C. The transformation of phase, microstructure, and surface topography was investigated using GIXRD, field emission scanning electron microscopy, and atomic force microscopy, respectively. The effect of zirconium (Zr) concentration on the microstructure and mechanical properties of Ni3Al coatings has been discussed. It is observed that the high concentration of Zr in Ni3Al coatings led to the evolution of microcracks that further contributes to increasing the surface roughness of the coatings. Results revealed that the Ni3Al coating without Zr content exhibited the highest hardness of 12.8 GPa. It is also found that with the increase in Zr content in host Ni3Al coatings, the hardness decreases, whereas the contact angle increases. Ni3Al coatings with 40 W Zr enrichment showed a hydrophobic nature with a contact angle of 101°.","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":"15 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135943950","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}
{"title":"Mechanistic analysis on low temperature thermal atomic layer deposition of nitrides utilizing H2S","authors":"Jinwoo Lee, Soo Hyun Lee, Bonggeun Shong","doi":"10.1116/6.0003041","DOIUrl":"https://doi.org/10.1116/6.0003041","url":null,"abstract":"Atomic layer deposition (ALD) enables the deposition of thin films with excellent step coverage and conformality that are required for nanoscale semiconductor devices. For ALD of nitrides, the high thermal budget required to eliminate impurities in the deposited films is often an issue. Recently, an alternative three-step recipe for thermal ALD of nitrides is reported to simultaneously decrease both the deposition temperature and the impurity contamination, by introducing H2S between chloride precursors and NH3 reactants. In this study, a theoretical analysis is conducted on comparing direct versus three-step alternative reaction paths for thermal ALD of nitrides using density functional theory calculations. The introduction of H2S would enhance the ligand-exchange reaction for nitrides of Al, Ti, and Zr by modifying the reaction scheme to involve a greater number of steps for each lower activation energy required. However, SiN ALD is expected to be hindered by H2S. Our study may be utilized for the development of a new efficient method for ALD of nitride thin films at lower process temperatures.","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":"75 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136112459","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}
Jong Hyeon Won, Hyeonhui Jo, Pil Ju Youn, Bo Keun Park, Taek-Mo Chung, Jeong Hwan Han
{"title":"Ternary Ga–Sn–O and quaternary In–Ga–Sn–O channel based thin film transistors fabricated by plasma-enhanced atomic layer deposition","authors":"Jong Hyeon Won, Hyeonhui Jo, Pil Ju Youn, Bo Keun Park, Taek-Mo Chung, Jeong Hwan Han","doi":"10.1116/6.0003004","DOIUrl":"https://doi.org/10.1116/6.0003004","url":null,"abstract":"Amorphous In–Ga–Sn–O (IGTO), as an n-type amorphous oxide semiconductor, has attracted interest owing to its potential applications to the vertical NAND or 3D DRAM channels as well as in high-mobility thin-film transistors (TFTs) for high-resolution displays. In this study, ternary Ga–Sn–O (GTO) and quaternary IGTO films were deposited through plasma-enhanced atomic layer deposition (PEALD) at 200 °C, using dimethyl(N-ethoxy-2,2-dimethylcarboxylicpropanamide)indium, trimethylgallium, and bis(1-dimethylamino-2-methyl-2-propoxide)tin as the In, Ga, and Sn precursors, respectively. First, GTO films were fabricated through PEALD with varying Ga2O3:SnO2 subcycle ratios. The remarkable evolutions of the microstructure and electrical properties of the PEALD GTO films were observed depending on the Ga/Sn cationic ratio. Subsequently, the growth characteristics of the quaternary PEALD IGTO films were examined by introducing In2O3 subcycles, and the In:Ga:Sn cationic composition was precisely engineered by varying the ratios of In2O3, SnO2, and Ga2O3 subcycles in the IGTO deposition process. Composition-controlled IGTO bottom gate staggered-type TFTs were fabricated, and their electrical performance was evaluated depending on the In:Ga:Sn cationic composition of the IGTO channel layer. The optimized TFT with the In0.38Ga0.32Sn0.30Ox film exhibited a high field-effect mobility of 22.5 cm2/V s, turn-on voltage of −4.4 V, and subthreshold swing of 0.26 V/dec.","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":"136 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136112711","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}
Joan Weng, Hyungki Shin, Simon Godin, Mohamed Oudah, Ronny Sutarto, Rebecca Pons, Bruce A. Davidson, Ke Zou
{"title":"Ordered deficient perovskite La2/3TiO3 films grown via molecular beam epitaxy","authors":"Joan Weng, Hyungki Shin, Simon Godin, Mohamed Oudah, Ronny Sutarto, Rebecca Pons, Bruce A. Davidson, Ke Zou","doi":"10.1116/6.0003091","DOIUrl":"https://doi.org/10.1116/6.0003091","url":null,"abstract":"As the parent compound of a promising solid electrolyte material Li3xLa2/3−xTiO3, the perovskite La2/3TiO3 has potential for advancing research on Li-intercalated ionic conductors. Epitaxial La2/3TiO3 films have been grown by molecular beam epitaxy using a growth process consisting of deposition and annealing cycles, with in situ monitoring by electron diffraction. X-ray absorption spectroscopy confirms the tetravalent state of Ti in La2/3TiO3, and the as-grown films are insulating. X-ray diffraction reveals the presence of half-order peaks, indicating a doubling of the pseudocubic perovskite unit cell due to the ordering of La vacancies in alternating A-site layers. These results demonstrate that single-phase, vacancy-ordered epitaxial films of La2/3TiO3 can be stabilized with excellent crystalline and electronic properties over wafer-sized areas, making possible Li-ion intercalation studies in films with well-defined domain boundary properties. Such boundaries are known to profoundly influence Li-ion conduction within the material. Understanding the effects of domain boundaries on Li-ion conduction could lead to improvements in solid-state battery technology and pave the way for the development of more efficient and safer energy storage devices.","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":"25 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136012827","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}
{"title":"Tribological behavior and wear mechanism of nanomultilayer AlCrN/AlTiSiN coatings at elevated temperatures","authors":"Baijun Xiao, Teng Fei Zhang","doi":"10.1116/6.0003019","DOIUrl":"https://doi.org/10.1116/6.0003019","url":null,"abstract":"Wear resistance is a critical property of tool coatings for high-speed machining, which depends on mechanical properties and oxidation resistance of the coatings. Many works have demonstrated that AlTiSiN coating has good mechanical properties. Additionally, AlCrN coating exhibits excellent oxidation resistance. The multilayered structure has proved to improve comprehensive properties of the coatings. Therefore, AlCrN/AlTiSiN multilayer coating has a high potential to be used in machining applications. This paper focuses on the high-temperature tribological behavior of AlCrN/AlTiSiN multilayer coating. The results show that AlCrN/AlTiSiN coating exhibits good to acceptable wear resistance up to 800 °C. Meanwhile, AlCrN/AlTiSiN coating also displays the lowest friction coefficient of ∼0.5 and a wear rate of 1.8 × 10−6 mm3/N m at 800 °C, which is about 58.13% and 64.0% lower than that of AlCrN and AlTiSiN coatings, respectively. The imaging and composition analysis of the high-temperature wear tracks allowed for explaining the differences in wear mechanisms. At 800 °C, a dense thin tribofilm is formed on the surface of AlCrN/AlTiSiN coating, which acts as a glaze layer to impede wear. It provides a strategy for enhancing the wear resistance of monolayer coating in high temperatures, which combines the advantages of both high oxidation resistance of one layer and high hardness of the other layer.","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":"44 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136013007","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}
Raquel Garza, Nathan Bartlett, Jameson Crouse, Andrew Herschberg, R. Mohan Sankaran, Md. Amzad Hossain, David N. Ruzic
{"title":"Stannane in extreme ultraviolet lithography and vacuum technology: Synthesis and characterization","authors":"Raquel Garza, Nathan Bartlett, Jameson Crouse, Andrew Herschberg, R. Mohan Sankaran, Md. Amzad Hossain, David N. Ruzic","doi":"10.1116/6.0002980","DOIUrl":"https://doi.org/10.1116/6.0002980","url":null,"abstract":"In extreme ultraviolet (EUV) lithography, tin droplets evaporate and subsequently coat various surfaces including the collector mirrors. To clean off the tin, a hydrogen plasma is often used, but as a result, an unstable by-product, stannane (SnH4) is formed. The physicochemical characteristics of this gas, its formation in a plasma process, and its interaction with various materials have not been explored and understood completely. Here, the electron ionization mass spectrum of SnH4 is presented. All ten natural abundance isotopes were observed experimentally for each fragment, i.e., Sn+, SnH+, SnH2+, and SnH3+. Density functional electronic structure theory was used to calculate the optimized ground state geometries of these gas phase species and their relative stabilities and helped explain the absence of SnH4+ in the observed signals. The density of the liquid, its cracking pattern, and the surface morphology of its deposits were examined. The surface of the deposited tin film resulting from the decomposition and subsequent oxidation was characterized by x-ray photoelectron spectroscopy. The main species found at the surface were metallic tin and tin (II) oxide (SnO). The detailed characterization of stannane should help correctly identify it in EUV lithographic processes and develop approaches in the future to mitigate its decomposition and redeposition on the collector mirrors or vacuum chamber walls.","PeriodicalId":17490,"journal":{"name":"Journal of Vacuum Science & Technology A","volume":"27 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136352789","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}