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Statements

Subject Item
n2:RIV%2F49777513%3A23640%2F14%3A43922857%21RIV15-MSM-23640___
rdf:type
n12:Vysledek skos:Concept
dcterms: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.
dcterms: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
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
skos:notation
RIV/49777513:23640/14:43922857!RIV15-MSM-23640___
n3:aktivita
n19:P
n3:aktivity
P(ED2.1.00/03.0088)
n3:cisloPeriodika
listopad 2014
n3:dodaniDat
n16:2015
n3:domaciTvurceVysledku
n4:5529190 n4:5751586
n3:druhVysledku
n15:J
n3:duvernostUdaju
n6:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
26874
n3:idVysledku
RIV/49777513:23640/14:43922857
n3:jazykVysledku
n14:eng
n3:klicovaSlova
DFT; Boltztrap code; Thermoelectric properties; Magnetic properties; Electronic structure
n3:klicoveSlovo
n9:Boltztrap%20code n9:Electronic%20structure n9:Magnetic%20properties n9:Thermoelectric%20properties n9:DFT
n3:kodStatuVydavatele
NL - Nizozemsko
n3:kontrolniKodProRIV
[98ED87B2572E]
n3:nazevZdroje
Journal of Magnetism and Magnetic Materials
n3:obor
n17:BE
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
4
n3:projekt
n5:ED2.1.00%2F03.0088
n3:rokUplatneniVysledku
n16:2014
n3:svazekPeriodika
369
n3:tvurceVysledku
Alahmed, Z.A. Al-Jaary, Ali H. Reshak Khan, Wilayat Ahmad, Khairel Rafezi
n3:wos
000340050500038
s:issn
0304-8853
s:numberOfPages
9
n10:doi
10.1016/j.jmmm.2014.06.048
n7:organizacniJednotka
23640