Pub Date : 2007-11-01DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.429
E. Bozin, X. Qiu, Richard J. Worhatch, G. Paglia, M. Schmidt, P. Radaelli, J. Mitchell, T. Chatterji, T. Proffen, S. Billinge
Total scattering based atomic pair distribution function (PDF) analysis, with the advent of high data throughput neutron powder diffractometers, helps understanding the nature of the Jahn-Teller (JT) phase transition in La1-xCaxMnO3 colossal magnetoresistive (CMR) manganites. The JT distortion of the MnO6 octahedra, is long-range ordered in the orthorhombic (O) phase, but disappears in the pseudo-cubic (O') phase crystallographically. An anomalous unit cell volume contraction occurs at the transition. The PDF study indicates that the distortion persists locally deep in the O' phase, contrary to the crystallographic view. Simultaneously, local structural features observed in PDF at 10.3 A, sensitive to the oxygen sublattice changes, evolve dramatically across the transition. The same effect is observed irrespective of the way the O-O' phase boundary is crossed: it is seen both in the temperature series data for x=0, and in the doping series data at 310 K and at 550 K.
{"title":"Utilizing total scattering to study the Jahn-Teller transition in La1-xCaxMnO3","authors":"E. Bozin, X. Qiu, Richard J. Worhatch, G. Paglia, M. Schmidt, P. Radaelli, J. Mitchell, T. Chatterji, T. Proffen, S. Billinge","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.429","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.429","url":null,"abstract":"Total scattering based atomic pair distribution function (PDF) analysis, with the advent of high data throughput neutron powder diffractometers, helps understanding the nature of the Jahn-Teller (JT) phase transition in La1-xCaxMnO3 colossal magnetoresistive (CMR) manganites. The JT distortion of the MnO6 octahedra, is long-range ordered in the orthorhombic (O) phase, but disappears in the pseudo-cubic (O') phase crystallographically. An anomalous unit cell volume contraction occurs at the transition. The PDF study indicates that the distortion persists locally deep in the O' phase, contrary to the crystallographic view. Simultaneously, local structural features observed in PDF at 10.3 A, sensitive to the oxygen sublattice changes, evolve dramatically across the transition. The same effect is observed irrespective of the way the O-O' phase boundary is crossed: it is seen both in the temperature series data for x=0, and in the doping series data at 310 K and at 550 K.","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84423682","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}
Pub Date : 2007-11-01DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.171
U. Garbe, M. Hofmann, H. Brokmeier
{"title":"Stress and local texture measurements at the materials science diffractometer STRESS-SPEC at FRM-II","authors":"U. Garbe, M. Hofmann, H. Brokmeier","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.171","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.171","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79854118","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}
Pub Date : 2007-11-01DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.183
S. Nicolopoulos, J. Morniroli, M. Gemmi
{"title":"From powder diffraction to structure resolution of nanocrystals by precession electron diffraction","authors":"S. Nicolopoulos, J. Morniroli, M. Gemmi","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.183","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.183","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87828093","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}
Pub Date : 2007-11-01DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.17
S. Billinge
Studying the atomic structure of nanostructured materials presents a special chal- lenge because our extensive crystallographic toolbox begins to lose its power on the nano- scale. The presumption of periodicity is a poor approximation when structural correlation lengths are limited to a few tens of nanometres or less and alternative approaches are needed. Here we give an overview of recent results where the use of the atomic pair distribution function analysis of x-ray and neutron powder diffraction has yielded useful insights in dif- ferent classes of nanostructure problem.
{"title":"Nanostructure studied using the atomic pair distribution function","authors":"S. Billinge","doi":"10.1524/ZKRI.2007.2007.SUPPL_26.17","DOIUrl":"https://doi.org/10.1524/ZKRI.2007.2007.SUPPL_26.17","url":null,"abstract":"Studying the atomic structure of nanostructured materials presents a special chal- lenge because our extensive crystallographic toolbox begins to lose its power on the nano- scale. The presumption of periodicity is a poor approximation when structural correlation lengths are limited to a few tens of nanometres or less and alternative approaches are needed. Here we give an overview of recent results where the use of the atomic pair distribution function analysis of x-ray and neutron powder diffraction has yielded useful insights in dif- ferent classes of nanostructure problem.","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72789477","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}
Pub Date : 2007-11-01DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.399
S. Vratislav, M. Dlouhá, V. Bosáček
{"title":"Structure properties of chemisorbed methyl groups in the framework of faujasite zeolitic catalysts","authors":"S. Vratislav, M. Dlouhá, V. Bosáček","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.399","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.399","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76290628","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}
Pub Date : 2007-11-01DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.81
O. Thomas
{"title":"In-situ investigation by X-ray diffraction and wafer curvature of phase formation and stress evolution during metal thin film – silicon reactions","authors":"O. Thomas","doi":"10.1524/ZKRI.2007.2007.SUPPL_26.81","DOIUrl":"https://doi.org/10.1524/ZKRI.2007.2007.SUPPL_26.81","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74199192","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}
Pub Date : 2007-11-01DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.53
A. Wills
Magnetic structures are the ordered arrays of magnetic mornents that provide the basis for our understanding of the broad range of magnetic phenomena. Neutron diffraction provides what are arguably the most inforniative data on their nature. Given synthetic difficulties in growing single crystals, powder neutron diffraction is the technique of choice for the determination of the most significant qualities of magnetic structures. The literature reveals a lot of confusion over what magnetic structures are, both in the way that magnetic diffraction data are analysed and in mistakes that are commonly made when they are represented. In this article a brief overview is given about what magnetic structures are and what steps are required in order that they be validated as 'physically reasonable'. The discussion is limited to powder diffraction.
{"title":"Validation of magnetic structures","authors":"A. Wills","doi":"10.1524/ZKRI.2007.2007.SUPPL_26.53","DOIUrl":"https://doi.org/10.1524/ZKRI.2007.2007.SUPPL_26.53","url":null,"abstract":"Magnetic structures are the ordered arrays of magnetic mornents that provide the basis for our understanding of the broad range of magnetic phenomena. Neutron diffraction provides what are arguably the most inforniative data on their nature. Given synthetic difficulties in growing single crystals, powder neutron diffraction is the technique of choice for the determination of the most significant qualities of magnetic structures. The literature reveals a lot of confusion over what magnetic structures are, both in the way that magnetic diffraction data are analysed and in mistakes that are commonly made when they are represented. In this article a brief overview is given about what magnetic structures are and what steps are required in order that they be validated as 'physically reasonable'. The discussion is limited to powder diffraction.","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81618953","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}
Pub Date : 2007-11-01DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.345
R. Nicula, V. Cojocaru, J. Bednarčík, M. Stir, E. Burkel
The properties of nanocrystalline materials differ from the ones of their coarse- grained counterparts. Significant changes of the phase diagrams were also recently reported for various nanomaterials. Thermomechanical processing routes - with or without pressure application - employed to obtain bulk nanostructured solids from nanocrystalline powders control the microstructural features down to the nanoscale and thus determine the final nanomaterial properties. Modern in-situ X-ray diffraction experiments provide effective tools for the observation and engineering of the microstructure in nanomaterials. Time-resolved in-situ synchrotron radiation diffraction experiments were here used to monitor the evolution of the weighted column-length distributions and microstrain at specimen-relevant scales during heating of nanocrystalline HITPERM and NANOPERM alloys. Diffraction line pro- file analysis methods were applied to observe the grain growth kinetics in these Fe(Co)-Zr- B-Cu nanostructured alloys. The retention of their excellent soft magnetic properties in par- ticular at high temperature depends on the ability to supress anomalous grain growth.
{"title":"Microstructure evolution of nano-crystalline HITPERM and NANOPERM alloys: Insight fromin-situsynchrotron radiation experiments","authors":"R. Nicula, V. Cojocaru, J. Bednarčík, M. Stir, E. Burkel","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.345","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.345","url":null,"abstract":"The properties of nanocrystalline materials differ from the ones of their coarse- grained counterparts. Significant changes of the phase diagrams were also recently reported for various nanomaterials. Thermomechanical processing routes - with or without pressure application - employed to obtain bulk nanostructured solids from nanocrystalline powders control the microstructural features down to the nanoscale and thus determine the final nanomaterial properties. Modern in-situ X-ray diffraction experiments provide effective tools for the observation and engineering of the microstructure in nanomaterials. Time-resolved in-situ synchrotron radiation diffraction experiments were here used to monitor the evolution of the weighted column-length distributions and microstrain at specimen-relevant scales during heating of nanocrystalline HITPERM and NANOPERM alloys. Diffraction line pro- file analysis methods were applied to observe the grain growth kinetics in these Fe(Co)-Zr- B-Cu nanostructured alloys. The retention of their excellent soft magnetic properties in par- ticular at high temperature depends on the ability to supress anomalous grain growth.","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90048942","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}
Pub Date : 2007-11-01DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.327
Y. Perlovich, M. Isaenkova, V. Fesenko
{"title":"Use of generalised pole figures in the X-ray study of textured metal materials","authors":"Y. Perlovich, M. Isaenkova, V. Fesenko","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.327","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.327","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88676469","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}
Pub Date : 2007-11-01DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.495
M. Scavini, M. Daldosso, M. Brunelli, C. Ferrero, C. Oliva
{"title":"Modulation of Cu-O chain length in SmBa2Cu3O6+δ, by Al doping and clustering","authors":"M. Scavini, M. Daldosso, M. Brunelli, C. Ferrero, C. Oliva","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.495","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.495","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79450327","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}
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