{"title":"Tensorial Coupling and the Correlation Crystal Field","authors":"B. Ng, D. Newman","doi":"10.1002/PSSB.2221340161","DOIUrl":"https://doi.org/10.1002/PSSB.2221340161","url":null,"abstract":"","PeriodicalId":11113,"journal":{"name":"Day 1 Mon, March 21, 2022","volume":"6 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"1986-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76625027","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}
{"title":"Theoretical Prediction of Elastic Constants of Mixed Systems","authors":"A. Giri, G. B. Mitra","doi":"10.1002/PSSB.2221340152","DOIUrl":"https://doi.org/10.1002/PSSB.2221340152","url":null,"abstract":"","PeriodicalId":11113,"journal":{"name":"Day 1 Mon, March 21, 2022","volume":"44 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"1986-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81205394","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}
A. Georgobiani, V. Gutan, I. Tiginyanu, V. V. Ursaki, T. Filina
{"title":"Excitonic Luminescence in CdGa2S4 Single Crystals","authors":"A. Georgobiani, V. Gutan, I. Tiginyanu, V. V. Ursaki, T. Filina","doi":"10.1002/PSSB.2221340160","DOIUrl":"https://doi.org/10.1002/PSSB.2221340160","url":null,"abstract":"","PeriodicalId":11113,"journal":{"name":"Day 1 Mon, March 21, 2022","volume":"34 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"1986-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82709171","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}
The conduction band structures of six alkali halide crystals (LiF, NaF, KF, LiCl, NaCl, KCl) are studied by means of the augmented plane wave method (APW). The local partial densities of states (LPDOS) and X-ray absorption K-spectra are calculated. The band structure predictions are compared with the results of cluster model calculations obtained within the framework of a Green's function approach employing multiple scattering technique. The effect of cluster size is examined for the clusters containing various numbers of atoms. It is shown that 57-atom clusters are sufficiently large to represent the band results in XANES region. The hole effect is exhibited as the intensity redistributions and the shifts of the peak positions, although more serious changes in the case of Li K-spectrum in LiF are found. [Russian Text Ignored].
{"title":"Multiple Scattering Approach to the XANES Theory of Alkali Halide Crystals","authors":"V. Datsyuk, I. I. Gegusin, R. Vedrinskiĭ","doi":"10.1002/PSSB.2221340122","DOIUrl":"https://doi.org/10.1002/PSSB.2221340122","url":null,"abstract":"The conduction band structures of six alkali halide crystals (LiF, NaF, KF, LiCl, NaCl, KCl) are studied by means of the augmented plane wave method (APW). The local partial densities of states (LPDOS) and X-ray absorption K-spectra are calculated. The band structure predictions are compared with the results of cluster model calculations obtained within the framework of a Green's function approach employing multiple scattering technique. The effect of cluster size is examined for the clusters containing various numbers of atoms. It is shown that 57-atom clusters are sufficiently large to represent the band results in XANES region. The hole effect is exhibited as the intensity redistributions and the shifts of the peak positions, although more serious changes in the case of Li K-spectrum in LiF are found. \u0000 \u0000 \u0000 \u0000[Russian Text Ignored].","PeriodicalId":11113,"journal":{"name":"Day 1 Mon, March 21, 2022","volume":"87 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"1986-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79377872","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}
{"title":"On the Deformation Effect on Z1 Centres in KCl:Sr","authors":"R. Pode, B. H. Ghiya","doi":"10.1002/PSSB.2221340154","DOIUrl":"https://doi.org/10.1002/PSSB.2221340154","url":null,"abstract":"","PeriodicalId":11113,"journal":{"name":"Day 1 Mon, March 21, 2022","volume":"33 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"1986-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77689109","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}
{"title":"Comments on Tensorial Coupling and Matrix Elements of the Correlation Crystal Field","authors":"J. Tuszynski, J. M. Ddcon","doi":"10.1002/PSSB.2221340162","DOIUrl":"https://doi.org/10.1002/PSSB.2221340162","url":null,"abstract":"","PeriodicalId":11113,"journal":{"name":"Day 1 Mon, March 21, 2022","volume":"70 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"1986-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88957875","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}
{"title":"Phonon Density of States in Amorphous Si0.5Ge0.5","authors":"H. Gupta, G. Reddy, B. B. Tripathi","doi":"10.1002/PSSB.2221340103","DOIUrl":"https://doi.org/10.1002/PSSB.2221340103","url":null,"abstract":"","PeriodicalId":11113,"journal":{"name":"Day 1 Mon, March 21, 2022","volume":"294 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"1986-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73652191","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}
{"title":"Inhomogeneous Electric-Field Quenching of Persistent Photoconductivity in Strongly Indium Doped Lead Tin Telluride","authors":"K. Möllmann, M. Happ","doi":"10.1002/PSSB.2221340167","DOIUrl":"https://doi.org/10.1002/PSSB.2221340167","url":null,"abstract":"","PeriodicalId":11113,"journal":{"name":"Day 1 Mon, March 21, 2022","volume":"13 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"1986-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73700113","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}
{"title":"Multi-Spin Correlations and Magnetic Susceptibilities of Finite Frustrated Ising Chains","authors":"A. Zagórski, T. Rzysko, J. Zebrowski","doi":"10.1002/PSSB.2221340157","DOIUrl":"https://doi.org/10.1002/PSSB.2221340157","url":null,"abstract":"","PeriodicalId":11113,"journal":{"name":"Day 1 Mon, March 21, 2022","volume":"91 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"1986-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75824053","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}
Expressions are obtained for the variances of the molecular magnetic susceptibilities and anisotropies in the case of monoclinic crystals. The molecular magnetic susceptibilities, anisotropies, and their variances for some organic compounds (monoclinic crystals) are calculated refered to the molecular orientations and their inclinations on the crystallographic axes. These molecular magnetic susceptibilities are compared with those obtained using the molecular inclination determined by X-ray analysis. Fur monokline Kristalle werden Ausdrucke fur die Varianz der molekularen magnetischen Suszeptibilitaten und Anisotropien angegeben. Die molekularen magnetischen Suszeptibilitaten, Anisotropien und ihre Varianzen werden fur einige organische Verbindungen (monokline Kristalle) bezuglich der molekularen Orientierungen und ihren Neigungen gegen die kristallographischen Achsen berechnet. Diese molekularen magnetischen Suszeptibilitaten werden mit denen verglichen, die aus der durch Rontgenanalyse bestimmten molekularen Inklination gewonnen werden.
{"title":"Variances in Molecular Magnetic Susceptibilities of Monoclinic Crystals","authors":"A. Aly, I. Ibrahim, A. Abdeen, M. Abdel-Gawad","doi":"10.1002/PSSB.2221340115","DOIUrl":"https://doi.org/10.1002/PSSB.2221340115","url":null,"abstract":"Expressions are obtained for the variances of the molecular magnetic susceptibilities and anisotropies in the case of monoclinic crystals. The molecular magnetic susceptibilities, anisotropies, and their variances for some organic compounds (monoclinic crystals) are calculated refered to the molecular orientations and their inclinations on the crystallographic axes. These molecular magnetic susceptibilities are compared with those obtained using the molecular inclination determined by X-ray analysis. \u0000 \u0000 \u0000 \u0000Fur monokline Kristalle werden Ausdrucke fur die Varianz der molekularen magnetischen Suszeptibilitaten und Anisotropien angegeben. Die molekularen magnetischen Suszeptibilitaten, Anisotropien und ihre Varianzen werden fur einige organische Verbindungen (monokline Kristalle) bezuglich der molekularen Orientierungen und ihren Neigungen gegen die kristallographischen Achsen berechnet. Diese molekularen magnetischen Suszeptibilitaten werden mit denen verglichen, die aus der durch Rontgenanalyse bestimmten molekularen Inklination gewonnen werden.","PeriodicalId":11113,"journal":{"name":"Day 1 Mon, March 21, 2022","volume":"19 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"1986-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83472075","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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