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Effect of thermal treatment on spectroscopic properties of europium doped niobate phosphate glasses 热处理对掺铕铌酸盐磷酸盐玻璃光谱性能的影响
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836897
T. V. Bocharova, A. Vlasova, G. Karapetyan, A. Mironov
{"title":"Effect of thermal treatment on spectroscopic properties of europium doped niobate phosphate glasses","authors":"T. V. Bocharova, A. Vlasova, G. Karapetyan, A. Mironov","doi":"10.1117/12.836897","DOIUrl":"https://doi.org/10.1117/12.836897","url":null,"abstract":"Glasses of the following composition 45Na2O•(55 - x)P2O5•xNb2O5 and 50Na2O•(50 - x)P2O5•xNb2O5 are studied. It is found that under the influence of γ-radiation the glass color changes. Optical absorption spectra, photoluminescence spectra, Rayleigh and Mandel'shtam - Brillouin scattering (RMBS) spectra are investigated in dependence of glass composition, europium concentration, thermal treatment duration and radiation dose. Effect of secondary thermal treatment is studied on the base of 45Na2O•25P2O5•30Nb2O5 doped with 1 mol.% Eu2O3. It is found that intensity of photoluminescence gives rise and decay time as well under thermal treatment at the temperature exceeding transition temperature by 50 degrees. RMBS spectra of glasses after thermal treatment demonstrate decrease of scattering intensity while Eu2O3 being doped. Effects obtained are accounted for europium ion local symmetry changes.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"141 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116666391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
An extended "five-stream" model for diffusion of donor and acceptor dopants in Si during the production of ultrashallow π-v junctions 超浅π-v结制备过程中施体和受体掺杂物在Si中扩散的扩展“五流”模型
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.837012
B. Khina
{"title":"An extended \"five-stream\" model for diffusion of donor and acceptor dopants in Si during the production of ultrashallow π-v junctions","authors":"B. Khina","doi":"10.1117/12.837012","DOIUrl":"https://doi.org/10.1117/12.837012","url":null,"abstract":"The ultrashallow p-n junctions (USJ) in modern VLSI technology are produced by low-energy high-dose ion implantation of donor or acceptor atoms into a Si waver with subsequent rapid thermal annealing (RTA) for healing the lattice defects and electrical activation of the dopants. During RTA, the phenomenon of transient enhanced diffusion (TED) is observed, which hinders obtaining the optimal concentration profile of the dopants and thus the required current-voltage characteristics of USJ. Solving the intricate problem of TED suppression is impossible without mathematical modeling of this complex phenomenon. However, modern software packages such as SUPREM-4 (Silvaco Data Systems), which employ the so-called \"five-stream\" approach, encounter severe difficulties in predicting TED. In this work, an extended \"five-stream\" model for diffusion of implanted dopants in monocrystalline Si during RTA is developed taking into account all the possible charge states of both point defects (vacancies and self-interstitials) and diffusing pairs (\"dopant atom-vacancy\" and \"dopant atom-silicon self-interstitial\"). The sink/source terms describing reactions between differently charged pairs and point defects are derived. New initial conditions are formulated basing on the experimental concentration profiles of dopants determined by the second-ion mass spectrometry and the profiles of \"net\" vacancies and self-interstitials after implantation, which are obtained by Monte-Carlo simulation.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116231173","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Computer simulation of electronic and magnetic properties of ternary chalcopyrites doped with transition metals 掺杂过渡金属的三元黄铜矿的电子和磁性能的计算机模拟
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836166
A. Krivosheeva, V. Shaposhnikov, V. Borisenko, F. Arnaud d'Avitaya, J. Lazzari
{"title":"Computer simulation of electronic and magnetic properties of ternary chalcopyrites doped with transition metals","authors":"A. Krivosheeva, V. Shaposhnikov, V. Borisenko, F. Arnaud d'Avitaya, J. Lazzari","doi":"10.1117/12.836166","DOIUrl":"https://doi.org/10.1117/12.836166","url":null,"abstract":"Electronic and magnetic properties of BeSiAs2 and BeGeAs2 ternary compounds with chalcopyrite structure doped with transition metals (Mn, Cr) have been theoretically studied from the first principles. The influence of the substitutional positions of impurity atoms and their type on the appearance of a ferromagnetic (FM) or antiferromagnetic (AFM) state has been analyzed. It was found that magnetic moment of the systems does not depend strongly on the concentration and distance between impurity atoms, while the most important factors observed are the impurity type and substitution sites. Configurations with Mn atoms in the II-group sites are energetically stable in the AFM state, whereas Cr-doped ones seem to be in the FM state. Substitution of IV-group positions by both metals results preferably in the FM state, however these positions are not energetically favorable in comparison with II-group ones. The spin polarization of doped materials is evaluated and their possible application in spintronics is analyzed.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"142 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116531355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
End-to-end statistical process/device/circuit/system design 端到端统计流程/设备/电路/系统设计
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.837070
M. Krasikov, V. Nelayev, V. Syakerckii, V. Stempitsky
{"title":"End-to-end statistical process/device/circuit/system design","authors":"M. Krasikov, V. Nelayev, V. Syakerckii, V. Stempitsky","doi":"10.1117/12.837070","DOIUrl":"https://doi.org/10.1117/12.837070","url":null,"abstract":"In this paper we present a methodology for the end-to-end statistical process/device/circuit/system analysis and optimization. We use standard software at the every design stage when ordinary design procedure is performed. But approximated dependencies, which were obtained through the use of response surface methodology, are used to conduct statistical analysis in Monte-Carlo loop for investigation of influence of process parameters deviation on output process/device/circuit/system performances. A rudimentary simple example of the cell inverter design, formed on the basis of the MOS-transistor, illustrates the efficiency of the methodology.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"25 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128338937","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Simulation of magnetic tunnel junction in ferromagnetic/insulator/semiconductor structure 铁磁/绝缘体/半导体结构中磁隧道结的模拟
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836973
A. Kostrov, V. Stempitsky, Vladimir N. Kazimirchik
{"title":"Simulation of magnetic tunnel junction in ferromagnetic/insulator/semiconductor structure","authors":"A. Kostrov, V. Stempitsky, Vladimir N. Kazimirchik","doi":"10.1117/12.836973","DOIUrl":"https://doi.org/10.1117/12.836973","url":null,"abstract":"In this work, we present a physical model and electrical macromodel for simulation of Magnetic Tunnel Junction (MTJ) effect based on Ferromagnetic/Insulator/Semiconductor (FIS) nanostructure. A modified Brinkman model has been proposed by including the voltage-dependent density of states of the ferromagnetic electrodes in order to explain the bias dependence magnitoresistance. The model takes into account injection of carriers in the semiconductor and Shottky barrier, electron tunneling through thin insulator and spin-transfer torque writing approach in memory cell. These very promising features should constitute the third generation of Magnetoresistive RAM (MRAM). Besides, the model can efficiently be used to design magnetic CMOS circuits. The behavioral macro-model has been developed by means of Verilog-AMS language and implemented on the Cadence Virtuoso platform with Spectre simulator.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"15 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124969856","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Effect of palladium addition on nickel silicide formation on Si (111) 钯对Si(111)硅化镍形成的影响
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836983
A. Karabko, A. Dostanko, S. M. Zavadsky, J. Kong, W. Shen
{"title":"Effect of palladium addition on nickel silicide formation on Si (111)","authors":"A. Karabko, A. Dostanko, S. M. Zavadsky, J. Kong, W. Shen","doi":"10.1117/12.836983","DOIUrl":"https://doi.org/10.1117/12.836983","url":null,"abstract":"In this work, the influence of palladium addition on phase transition, surface morphology, structural, vibrational, and electrical properties of nickel silicide is investigated at various temperatures. For Ni(Pd)Si films micro-Raman measurements have yielded Raman phonon peaks belonging to NiSi phase, although redshifted, on par with new peaks at 322 and 434 cm-1, not determined before, which we assign to the compositional disorder, introduced by Pd. The results have shown that Ni(Pd)Si films are thermally stable up to 900 °C, which is 100-150 °C more than that for pure NiSi films. Applying Miedema's model we have calculated the heat of formation for Ni(Pd)Si and found it to be more negative than that for pure NiSi, revealing a key role of Pd in the retardation of NiSi2 phase formation. AFM results have shown that the presence of Pd favorably influences the surface morphology of NiSi, resulting in a smoother surface. Furthermore, we have discussed the impact of annealing conditions on peculiarities of Pd diffusion, element distribution and electrical properties of Ni(Pd)Si and NiSi films.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"20 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130112352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structure and electronic properties of fullerene derivative: quantum chemical calculations 富勒烯衍生物的结构和电子性质:量子化学计算
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836167
D. V. Lopatin, E. S. Chirkin
{"title":"Structure and electronic properties of fullerene derivative: quantum chemical calculations","authors":"D. V. Lopatin, E. S. Chirkin","doi":"10.1117/12.836167","DOIUrl":"https://doi.org/10.1117/12.836167","url":null,"abstract":"In present paper we report results of computer simulation of crystalline and electronic structure of the molecular complexes - fullerene C60 and LCV (Leuco Crystal Violet), C60 and Bz4BTPE (tetrabenzo(1,2-bis[4H-thiopyran-4-ylidene]ethene)), C60 and LMG (Leucomalachite Green), C60 and TMPDA (N,N,N',N'-tetramethyl-pphenylenediamine)). Quantum chemical calculations regard to 3D molecular cluster built of up to several layers C60•and donor molecules each. Electronic structure modeling results in the HOMO-LUMO gap width. It is shown that given modeling procedure produce the results corresponding to the X-ray diffraction data and AFM data. Thus, it can be successfully used for investigation of crystalline and electronic structures of fullerene-based materials.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"66 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126668332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Simulation of mechanical properties and residual stress of nanostructural coatings based on transition metals nitrides 过渡金属氮化物纳米结构涂层的力学性能和残余应力模拟
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836982
A. Danilyuk, V. Shaposhnikov, A. Filonov, V. M. Anischik, V. Uglov, Аndrew K. Kuleshov, Мaxim A. Danilyuk
{"title":"Simulation of mechanical properties and residual stress of nanostructural coatings based on transition metals nitrides","authors":"A. Danilyuk, V. Shaposhnikov, A. Filonov, V. M. Anischik, V. Uglov, Аndrew K. Kuleshov, Мaxim A. Danilyuk","doi":"10.1117/12.836982","DOIUrl":"https://doi.org/10.1117/12.836982","url":null,"abstract":"Physical properties of novel nanostructural coatings, formed by ion-plasmous flux from solid solutions of transition and refractory metals (Ti, Zr, Cr) have been intensively studied to enhance characteristics of tool materials. We have developed the modeling technique for effective predictions of internal stresses and calculation of elastic properties of nanostructural coatings composed of metal nitrides. Quantum-mechanical modeling of microstructure, elastic constants, bulk modulus and residual stress for binary and ternary metal nitride clusters have been performed. The dependences of these characteristics on the crystal structure deformations have been investigated. The essential modification of elastic constants and bulk moduli with changes in lattice constants and stoichiometric composition has been observed. The influence of elastically stressed state of sample on X-ray diffraction intensity has been examined by using the exponential model. The model of residual stress distribution identifying in depth of wear-resistant nanostructural coating from the data of diffraction experiments has been developed.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"65 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126494428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ab initio simulation of magnetically functionalized carbon nanotubes 磁功能化碳纳米管的从头算模拟
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836162
V. Nelayev, K. Dovzhik
{"title":"Ab initio simulation of magnetically functionalized carbon nanotubes","authors":"V. Nelayev, K. Dovzhik","doi":"10.1117/12.836162","DOIUrl":"https://doi.org/10.1117/12.836162","url":null,"abstract":"Fe and Fe3C nanoclusters are of interest because of their potential use in spintronics. Such systems may be fabricated inside carbon nanotubes, where exchange bias has is important. An additional motivation to study these systems is to investigate the influence of iron-carbon interaction determines on magnetic ordering and properties of the system Fe cluster in carbon nanotube (CNT) The structural arrangements and magnetic properties of iron encapsulated in carbon nanotubes were investigated.. The geometry and magnetic structure of freestanding state and encapsulated in CNT Fe and cementite Fe3C clusters were simulated using ab initio methods. Besides, properties of the Fe cluster-nanotube system was studied when clusters are present in the single and multiwall carbon nanotubes. When the ratio of the cluster to nanotube diameter is enough small the system is stable and the spin polarization near the Fermi energy is high. If that ratio is close to 1, such system is less stable and a tendency towards antiferromagnetic ordering is revealed.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"34 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"120944282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Computer simulation of structure transformations due to two-particles agglomeration 双粒子聚集引起的结构转变的计算机模拟
Nanodesign, Technology, and Computer Simulations Pub Date : 2008-07-11 DOI: 10.1117/12.836984
L. Karkina, I. Karkin, Y. Gornostyrev
{"title":"Computer simulation of structure transformations due to two-particles agglomeration","authors":"L. Karkina, I. Karkin, Y. Gornostyrev","doi":"10.1117/12.836984","DOIUrl":"https://doi.org/10.1117/12.836984","url":null,"abstract":"The mechanisms governing the formation of structural state and kinetics of transformations in the metallic clusters Ni during the agglomeration are investigated with the use of a method of molecular dynamics. The size effect during the two-particle agglomeration is discovered in the investigated temperature interval. It is shown that for the nanoparticles with the size of d~3 nm for T=0,95Tm their coalescence occurs.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"30 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2008-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115090789","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
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