First Principle Computational Studies On The Electronic Structure Of Muonated Κ-(Bedt-Ttf)2cu[N(Cn)2]Cl And Κ-D8-(Bedt-Ttf)2cu[N(Cn)2]Br

κ-(BEDT-TTF)2Cu[N(CN)2]Cl and κ-d8-(BEDT-TTF)2Cu[N(CN)2]Br are organic magnetic materials with potential applications in spintronics. The amount of μSR data on this structure has increased rapidly and continues to appear over time. The unpaired electrons are usually located throughout the dimer and...

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主要作者: Baseri, Dang Fatihah Hasan
格式: Thesis
語言:English
出版: 2022
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spelling my-usm-ep.584712023-05-11T08:09:09Z First Principle Computational Studies On The Electronic Structure Of Muonated Κ-(Bedt-Ttf)2cu[N(Cn)2]Cl And Κ-D8-(Bedt-Ttf)2cu[N(Cn)2]Br 2022-01 Baseri, Dang Fatihah Hasan L Education (General) κ-(BEDT-TTF)2Cu[N(CN)2]Cl and κ-d8-(BEDT-TTF)2Cu[N(CN)2]Br are organic magnetic materials with potential applications in spintronics. The amount of μSR data on this structure has increased rapidly and continues to appear over time. The unpaired electrons are usually located throughout the dimer and not around specific atoms that can affect the magnetic properties of the system. In principle, the long-range order of magnetic moments that configures the magnetic structure of the system is still unclear and further research is needed. To complete the μSR study, Density Functional Theory (DFT) calculations were carried out to investigate the electronic structure in high spin and antiferromagnetic (AFM) states as well as to observe the type of magnetism present in this compound. 2022-01 Thesis http://eprints.usm.my/58471/ http://eprints.usm.my/58471/1/DANG%20FATIHAH%20BINTI%20HASAN%20BASERI%20-%20TESIS.pdf application/pdf en public phd doctoral Perpustakaan Hamzah Sendut Pusat Pengajian Pendidikan Jarak Jauh
institution Universiti Sains Malaysia
collection USM Institutional Repository
language English
topic L Education (General)
spellingShingle L Education (General)
Baseri, Dang Fatihah Hasan
First Principle Computational Studies On The Electronic Structure Of Muonated Κ-(Bedt-Ttf)2cu[N(Cn)2]Cl And Κ-D8-(Bedt-Ttf)2cu[N(Cn)2]Br
description κ-(BEDT-TTF)2Cu[N(CN)2]Cl and κ-d8-(BEDT-TTF)2Cu[N(CN)2]Br are organic magnetic materials with potential applications in spintronics. The amount of μSR data on this structure has increased rapidly and continues to appear over time. The unpaired electrons are usually located throughout the dimer and not around specific atoms that can affect the magnetic properties of the system. In principle, the long-range order of magnetic moments that configures the magnetic structure of the system is still unclear and further research is needed. To complete the μSR study, Density Functional Theory (DFT) calculations were carried out to investigate the electronic structure in high spin and antiferromagnetic (AFM) states as well as to observe the type of magnetism present in this compound.
format Thesis
qualification_name Doctor of Philosophy (PhD.)
qualification_level Doctorate
author Baseri, Dang Fatihah Hasan
author_facet Baseri, Dang Fatihah Hasan
author_sort Baseri, Dang Fatihah Hasan
title First Principle Computational Studies On The Electronic Structure Of Muonated Κ-(Bedt-Ttf)2cu[N(Cn)2]Cl And Κ-D8-(Bedt-Ttf)2cu[N(Cn)2]Br
title_short First Principle Computational Studies On The Electronic Structure Of Muonated Κ-(Bedt-Ttf)2cu[N(Cn)2]Cl And Κ-D8-(Bedt-Ttf)2cu[N(Cn)2]Br
title_full First Principle Computational Studies On The Electronic Structure Of Muonated Κ-(Bedt-Ttf)2cu[N(Cn)2]Cl And Κ-D8-(Bedt-Ttf)2cu[N(Cn)2]Br
title_fullStr First Principle Computational Studies On The Electronic Structure Of Muonated Κ-(Bedt-Ttf)2cu[N(Cn)2]Cl And Κ-D8-(Bedt-Ttf)2cu[N(Cn)2]Br
title_full_unstemmed First Principle Computational Studies On The Electronic Structure Of Muonated Κ-(Bedt-Ttf)2cu[N(Cn)2]Cl And Κ-D8-(Bedt-Ttf)2cu[N(Cn)2]Br
title_sort first principle computational studies on the electronic structure of muonated κ-(bedt-ttf)2cu[n(cn)2]cl and κ-d8-(bedt-ttf)2cu[n(cn)2]br
granting_institution Perpustakaan Hamzah Sendut
granting_department Pusat Pengajian Pendidikan Jarak Jauh
publishDate 2022
url http://eprints.usm.my/58471/1/DANG%20FATIHAH%20BINTI%20HASAN%20BASERI%20-%20TESIS.pdf
_version_ 1776101223985840128