About: Magnetic and thermoelectric properties of three different atomic ratio of Bi/Mn in BiMn2O5: DFT approach

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About: Magnetic and thermoelectric properties of three different atomic ratio of Bi/Mn in BiMn2O5: DFT approach Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Electronic structure and magnetic properties of the three different samples of BiMn2O5, are calculated using the density functional theory (DFT). These samples have different Bi=Mn concentration. For simplicity, we suggest to call them as A, B and C. The calculated band structures show half metallicity for all samples, and possess 100% spin polarization at the Fermi level. The spin up/down density of states are calculated using Engel-Vosko generalized gradient approximation (EV-GGA). We have discussed the effect of Mn magnetic moment (mýB) on the electronic and magnetic properties of the entire samples. The temperature dependent thermoelectric properties like electrical and thermal conductivity, Seebeck coefficient and power factor are also calculated, employing the Boltzmann transport theory under the BoltzTraP code. Our results indicated that these properties are strongly dependent on Bi=Mn concentration. Electronic structure and magnetic properties of the three different samples of BiMn2O5, are calculated using the density functional theory (DFT). These samples have different Bi=Mn concentration. For simplicity, we suggest to call them as A, B and C. The calculated band structures show half metallicity for all samples, and possess 100% spin polarization at the Fermi level. The spin up/down density of states are calculated using Engel-Vosko generalized gradient approximation (EV-GGA). We have discussed the effect of Mn magnetic moment (mýB) on the electronic and magnetic properties of the entire samples. The temperature dependent thermoelectric properties like electrical and thermal conductivity, Seebeck coefficient and power factor are also calculated, employing the Boltzmann transport theory under the BoltzTraP code. Our results indicated that these properties are strongly dependent on Bi=Mn concentration. (en)
Title	Magnetic and thermoelectric properties of three different atomic ratio of Bi/Mn in BiMn2O5: DFT approach Magnetic and thermoelectric properties of three different atomic ratio of Bi/Mn in BiMn2O5: DFT approach (en)
skos:prefLabel	Magnetic and thermoelectric properties of three different atomic ratio of Bi/Mn in BiMn2O5: DFT approach Magnetic and thermoelectric properties of three different atomic ratio of Bi/Mn in BiMn2O5: DFT approach (en)
skos:notation	RIV/49777513:23640/14:43922857!RIV15-MSM-23640___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(ED2.1.00/03.0088)
http://linked.open...iv/cisloPeriodika	listopad 2014
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	AL- JAARY, Ali Reshak Khan, Wilayat
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Západočeská univerzita v Plzni / Nové technologie - výzkumné centrum
http://linked.open...dnocenehoVysledku	26874
http://linked.open...ai/riv/idVysledku	RIV/49777513:23640/14:43922857
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	DFT; Boltztrap code; Thermoelectric properties; Magnetic properties; Electronic structure (en)
http://linked.open.../riv/klicoveSlovo	Boltztrap code Thermoelectric properties Electronic structure DFT Magnetic properties
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[98ED87B2572E]
http://linked.open...i/riv/nazevZdroje	Journal of Magnetism and Magnetic Materials
http://linked.open...in/vavai/riv/obor	BE
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Centre of the New Technologies and Materials
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	369
http://linked.open...iv/tvurceVysledku	Al-Jaary, Ali H. Reshak Alahmed, Z.A. Khan, Wilayat Ahmad, Khairel Rafezi
http://linked.open...ain/vavai/riv/wos	000340050500038
issn	0304-8853
number of pages	9 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.jmmm.2014.06.048
http://localhost/t...ganizacniJednotka	23640

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