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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Main Author:	Baseri, Dang Fatihah Hasan
Format:	Thesis
Language:	English
Published:	2022
Subjects:	L Education (General)
Online Access:	http://eprints.usm.my/58471/1/DANG%20FATIHAH%20BINTI%20HASAN%20BASERI%20-%20TESIS.pdf
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id	my-usm-ep.58471
record_format	uketd_dc
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

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

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