The polymorphism of Minodronic acid (MDA) monohydrates (form D and form E) was investigated in this work. The results revealed that the main difference lies in the discrepancy of hydrogen bonds in ...
这项工作研究了米诺膦酸 (MDA) 一水合物（D 型和 E 型）的多态性。结果表明，它们的主要区别在于氢键在...
{"title":"Investigation on the structural characteristics and polymorphic transformation mechanism of polymorphic hydrates: a case of minodronic acid monohydrate","authors":"Xuefei Gao, Liang Zhu, Chenglin Dong, Xiaoning Wang, Wenli Zhao, Xiaoyu Zhao, Yanfei Wang","doi":"10.1080/01411594.2023.2288583","DOIUrl":"https://doi.org/10.1080/01411594.2023.2288583","url":null,"abstract":"The polymorphism of Minodronic acid (MDA) monohydrates (form D and form E) was investigated in this work. The results revealed that the main difference lies in the discrepancy of hydrogen bonds in ...","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"38 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2023-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138567080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-01DOI: 10.1080/01411594.2023.2277071
Andrzej Hilczer, Maria Zdanowska-Frączek
Published in Phase Transitions: A Multinational Journal (Ahead of Print, 2023)
发表于《相变:跨国期刊》(出版前，2023年)
{"title":"Editors note","authors":"Andrzej Hilczer, Maria Zdanowska-Frączek","doi":"10.1080/01411594.2023.2277071","DOIUrl":"https://doi.org/10.1080/01411594.2023.2277071","url":null,"abstract":"Published in Phase Transitions: A Multinational Journal (Ahead of Print, 2023)","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"7 4","pages":""},"PeriodicalIF":1.6,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138508524","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-11-28DOI: 10.1080/01411594.2023.2277183
Eriton Rodrigo Botero, Ducinei Garcia, Flavio Paulo Milton, Mahmoud Alkathy, Fabio Luis Zabotto
This letter quantifies the phases by Rietveld refinement of perovskite relaxor ferroelectric ceramics of lanthanum-modified lead titanate zirconate (PLZT 9/65/35) as a function of temperature. The ...
{"title":"Structural description of temperature evolution of polar clusters in PLZT relaxor ceramics","authors":"Eriton Rodrigo Botero, Ducinei Garcia, Flavio Paulo Milton, Mahmoud Alkathy, Fabio Luis Zabotto","doi":"10.1080/01411594.2023.2277183","DOIUrl":"https://doi.org/10.1080/01411594.2023.2277183","url":null,"abstract":"This letter quantifies the phases by Rietveld refinement of perovskite relaxor ferroelectric ceramics of lanthanum-modified lead titanate zirconate (PLZT 9/65/35) as a function of temperature. The ...","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"4 2","pages":""},"PeriodicalIF":1.6,"publicationDate":"2023-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138508536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-11-24DOI: 10.1080/01411594.2023.2277192
Paweł E. Tomaszewski
My comments concern the significant errors in the crystallographic part of the commented paper. The diffraction patterns are erroneously analysed and the final chemical composition is different tha...
我的评论涉及评论论文中晶体学部分的重大错误。衍射图被错误地分析，最终的化学成分与…
{"title":"Comments on the paper on the properties of BaFe0.5Nb0.5O3 by R. Chakravarty et al., and published in Phase Transitions 95, 163 (2022)","authors":"Paweł E. Tomaszewski","doi":"10.1080/01411594.2023.2277192","DOIUrl":"https://doi.org/10.1080/01411594.2023.2277192","url":null,"abstract":"My comments concern the significant errors in the crystallographic part of the commented paper. The diffraction patterns are erroneously analysed and the final chemical composition is different tha...","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"4 4","pages":""},"PeriodicalIF":1.6,"publicationDate":"2023-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138508535","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-11-13DOI: 10.1080/01411594.2023.2277176
Khaled Ibn El walid Benbrahim, Imad Eddine Rabah, Mohamed Rabah, Friha Khelfaoui, Bendouma Doumi, Abdelkader Bentayeb, Mohammed Elkeurti, Nour-Eddine Benkhettou
ABSTRACTIn this paper, we investigated the structural and magneto-electronic properties, and exchange coupling in new vanadium (V)-doped PbTiO3 perovskite oxide such as PbTi1−xVxO3 compounds with compositions of x = 0, 0.25, 0.5, 0.75, and 1. The calculations of these properties are based on density functional theory using the generalized gradient approximation of Wu-Cohen (GGA-WC) and the Tran-Blaha-modified Becke–Johnson potential (TB-mBJ). Our calculations with GGA-WC revealed that the lattice constant for PbTiO3 is in good concordance with other theoretical and experimental results, while for PbTi1−xVxO3 at x = 0.25, 0.5, 0.75, and 1, the lattice constant decreases with increasing vanadium concentration owing to the difference in sizes of Ti and V ionic radii. The improved electronic structures obtained by employing the TB-mBJ potential, demonstrated that the half-metallic ferromagnetic and half-metallic gaps are present in PbTi1−xVxO3 materials at x = 0.25, 0.5, 0.75, and 1, which makes them promising candidate materials for spintronics applications.KEYWORDS: V-doped perovskite oxideHalf-metallic behaviorMagnetic exchange couplingSpintronics Disclosure statementNo potential conflict of interest was reported by the author(s).Data availability statementThe authors declare that all data and material are included and available in the manuscript.
{"title":"Novel investigation by TB-mBJ potential of magneto-electronic properties and magnetic exchange coupling in vanadium (V)-doped PbTiO <sub>3</sub> perovskite oxide","authors":"Khaled Ibn El walid Benbrahim, Imad Eddine Rabah, Mohamed Rabah, Friha Khelfaoui, Bendouma Doumi, Abdelkader Bentayeb, Mohammed Elkeurti, Nour-Eddine Benkhettou","doi":"10.1080/01411594.2023.2277176","DOIUrl":"https://doi.org/10.1080/01411594.2023.2277176","url":null,"abstract":"ABSTRACTIn this paper, we investigated the structural and magneto-electronic properties, and exchange coupling in new vanadium (V)-doped PbTiO3 perovskite oxide such as PbTi1−xVxO3 compounds with compositions of x = 0, 0.25, 0.5, 0.75, and 1. The calculations of these properties are based on density functional theory using the generalized gradient approximation of Wu-Cohen (GGA-WC) and the Tran-Blaha-modified Becke–Johnson potential (TB-mBJ). Our calculations with GGA-WC revealed that the lattice constant for PbTiO3 is in good concordance with other theoretical and experimental results, while for PbTi1−xVxO3 at x = 0.25, 0.5, 0.75, and 1, the lattice constant decreases with increasing vanadium concentration owing to the difference in sizes of Ti and V ionic radii. The improved electronic structures obtained by employing the TB-mBJ potential, demonstrated that the half-metallic ferromagnetic and half-metallic gaps are present in PbTi1−xVxO3 materials at x = 0.25, 0.5, 0.75, and 1, which makes them promising candidate materials for spintronics applications.KEYWORDS: V-doped perovskite oxideHalf-metallic behaviorMagnetic exchange couplingSpintronics Disclosure statementNo potential conflict of interest was reported by the author(s).Data availability statementThe authors declare that all data and material are included and available in the manuscript.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"57 22","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136281630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-27DOI: 10.1080/01411594.2023.2272015
Debasish Panda, Sudhansu Sekhar Hota, R. N. P. Choudhary
{"title":"A brownmillerite electronic material LiBiFe <sub>2</sub> O <sub>5</sub> : structural, dielectric, electrical, and ferroelectric properties for device application","authors":"Debasish Panda, Sudhansu Sekhar Hota, R. N. P. Choudhary","doi":"10.1080/01411594.2023.2272015","DOIUrl":"https://doi.org/10.1080/01411594.2023.2272015","url":null,"abstract":"","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"60 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136316721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-27DOI: 10.1080/01411594.2023.2272018
Ayse Erdogan Cakar, Fatih Cakar, Hale Ocak, Selvi Karavelioglu, Belkiz Bilgin Eran, Ozlem Cankurtaran
{"title":"Determination of thermodynamic properties and phase transition temperatures of phenylbenzoate-based calamitic liquid crystals by inverse gas chromatography method","authors":"Ayse Erdogan Cakar, Fatih Cakar, Hale Ocak, Selvi Karavelioglu, Belkiz Bilgin Eran, Ozlem Cankurtaran","doi":"10.1080/01411594.2023.2272018","DOIUrl":"https://doi.org/10.1080/01411594.2023.2272018","url":null,"abstract":"","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136317407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-27DOI: 10.1080/01411594.2023.2272017
Prabir K. Mukherjee
{"title":"Theoretical study of the effects of carbon nanotubes on the rotator phase transitions of pentacosane","authors":"Prabir K. Mukherjee","doi":"10.1080/01411594.2023.2272017","DOIUrl":"https://doi.org/10.1080/01411594.2023.2272017","url":null,"abstract":"","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"4 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136317765","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-27DOI: 10.1080/01411594.2023.2272011
Khadidja Berarma, Saber Sâad Essaoud, Said Al Azar, Anas Y. Al-Reyahi, Ahmad A. Mousa, Ahmad Mufleh
{"title":"Computational characterization of structural, optoelectronic and thermoelectric properties of some double half-Heusler alloys X <sub>2</sub> FeY′Sb <sub>2</sub> (X: Hf, Zr ;Y′: Ni, Pd)","authors":"Khadidja Berarma, Saber Sâad Essaoud, Said Al Azar, Anas Y. Al-Reyahi, Ahmad A. Mousa, Ahmad Mufleh","doi":"10.1080/01411594.2023.2272011","DOIUrl":"https://doi.org/10.1080/01411594.2023.2272011","url":null,"abstract":"","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"6 6","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136316990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-27DOI: 10.1080/01411594.2023.2272016
Zahra Ramzi, Wafaa Nachit, Samira Touhtouh, Khalil Benkhouja, Anna Zawadzka
{"title":"Study on the effect of bismuth oxide on the structural, optical and dielectric properties of strontium phosphate glasses","authors":"Zahra Ramzi, Wafaa Nachit, Samira Touhtouh, Khalil Benkhouja, Anna Zawadzka","doi":"10.1080/01411594.2023.2272016","DOIUrl":"https://doi.org/10.1080/01411594.2023.2272016","url":null,"abstract":"","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"41 01","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136317066","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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