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Investigation on the structural characteristics and polymorphic transformation mechanism of polymorphic hydrates: a case of minodronic acid monohydrate 多晶体水合物的结构特征和多晶体转化机制研究：以米诺膦酸一水合物为例
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2023-12-09 DOI: 10.1080/01411594.2023.2288583
Xuefei Gao, Liang Zhu, Chenglin Dong, Xiaoning Wang, Wenli Zhao, Xiaoyu Zhao, Yanfei Wang
{"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}
引用次数: 0
Editors note 编者按
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2023-12-01 DOI: 10.1080/01411594.2023.2277071
Andrzej Hilczer, Maria Zdanowska-Frączek
{"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}
引用次数: 0
Structural description of temperature evolution of polar clusters in PLZT relaxor ceramics PLZT弛豫陶瓷中极性团簇温度演化的结构描述
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2023-11-28 DOI: 10.1080/01411594.2023.2277183
Eriton Rodrigo Botero, Ducinei Garcia, Flavio Paulo Milton, Mahmoud Alkathy, Fabio Luis Zabotto
{"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}
引用次数: 0
Comments on the paper on the properties of BaFe0.5Nb0.5O3 by R. Chakravarty et al., and published in Phase Transitions 95, 163 (2022) 对R. Chakravarty等人发表在《相变》(Phase Transitions)杂志95,163(2022)上的关于BaFe0.5Nb0.5O3性质的论文的评论
IF 1.6 4区 材料科学
Phase Transitions Pub Date : 2023-11-24 DOI: 10.1080/01411594.2023.2277192
Paweł E. Tomaszewski
{"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}
引用次数: 0
Novel investigation by TB-mBJ potential of magneto-electronic properties and magnetic exchange coupling in vanadium (V)-doped PbTiO 3 perovskite oxide 用TB-mBJ电势研究掺钒pbtio3钙钛矿氧化物的磁电子特性和磁交换耦合
4区 材料科学
Phase Transitions Pub Date : 2023-11-13 DOI: 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
{"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}
引用次数: 0
A brownmillerite electronic material LiBiFe 2 O 5 : structural, dielectric, electrical, and ferroelectric properties for device application 棕粒矿电子材料lilife2o5:用于器件的结构、介电、电学和铁电性质
4区 材料科学
Phase Transitions Pub Date : 2023-10-27 DOI: 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}
引用次数: 1
Determination of thermodynamic properties and phase transition temperatures of phenylbenzoate-based calamitic liquid crystals by inverse gas chromatography method 反相色谱法测定苯甲酸酯基液晶的热力学性质和相变温度
4区 材料科学
Phase Transitions Pub Date : 2023-10-27 DOI: 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}
引用次数: 0
Theoretical study of the effects of carbon nanotubes on the rotator phase transitions of pentacosane 碳纳米管对五戊烷旋转相变影响的理论研究
4区 材料科学
Phase Transitions Pub Date : 2023-10-27 DOI: 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}
引用次数: 0
Computational characterization of structural, optoelectronic and thermoelectric properties of some double half-Heusler alloys X 2 FeY′Sb 2 (X: Hf, Zr ;Y′: Ni, Pd) 双半heusler合金x2fey’sb2 (X: Hf, Zr;Y’:Ni, Pd)结构、光电和热电性能的计算表征
4区 材料科学
Phase Transitions Pub Date : 2023-10-27 DOI: 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}
引用次数: 1
Study on the effect of bismuth oxide on the structural, optical and dielectric properties of strontium phosphate glasses 氧化铋对磷酸锶玻璃结构、光学和介电性能影响的研究
4区 材料科学
Phase Transitions Pub Date : 2023-10-27 DOI: 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}
引用次数: 0
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