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Statements

Subject Item
n2:RIV%2F49777513%3A23640%2F14%3A43923968%21RIV15-MSM-23640___
rdf:type
skos:Concept n17:Vysledek
dcterms:description
The electronic and optical properties of MgYZ2 (Y=Si, Ge; Z=N, P) compounds are carried out using first-principle calculations within the density functional theory. The calculations show close correspondence to the available experimental data compared to the previous theoretical calculations. Band gap decreases by changing the cations Y from Si to Ge as well as Z from N to P in MgYZ2. The N/P p-states contribute majorly in the density of states. Bonding nature of the herein studied compounds is predicted from the electron density plots. Optical response of these compounds is noted from the complex refractive index, reflectivity and optical conductivity. The direct band gap and the high reflectivity of these compounds in the visible and ultraviolet regions of electromagnetic energy spectrum ensure their applications in optoelectronic and photonic domains. The electronic and optical properties of MgYZ2 (Y=Si, Ge; Z=N, P) compounds are carried out using first-principle calculations within the density functional theory. The calculations show close correspondence to the available experimental data compared to the previous theoretical calculations. Band gap decreases by changing the cations Y from Si to Ge as well as Z from N to P in MgYZ2. The N/P p-states contribute majorly in the density of states. Bonding nature of the herein studied compounds is predicted from the electron density plots. Optical response of these compounds is noted from the complex refractive index, reflectivity and optical conductivity. The direct band gap and the high reflectivity of these compounds in the visible and ultraviolet regions of electromagnetic energy spectrum ensure their applications in optoelectronic and photonic domains.
dcterms:title
Electronic, optical and bonding properties of MgYZ2 (Y=Si, Ge; Z=N, P) chalcopyrites from first principles Electronic, optical and bonding properties of MgYZ2 (Y=Si, Ge; Z=N, P) chalcopyrites from first principles
skos:prefLabel
Electronic, optical and bonding properties of MgYZ2 (Y=Si, Ge; Z=N, P) chalcopyrites from first principles Electronic, optical and bonding properties of MgYZ2 (Y=Si, Ge; Z=N, P) chalcopyrites from first principles
skos:notation
RIV/49777513:23640/14:43923968!RIV15-MSM-23640___
n3:aktivita
n8:P
n3:aktivity
P(ED2.1.00/03.0088)
n3:cisloPeriodika
září 2014
n3:dodaniDat
n9:2015
n3:domaciTvurceVysledku
n15:5751586
n3:druhVysledku
n4:J
n3:duvernostUdaju
n19:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
14199
n3:idVysledku
RIV/49777513:23640/14:43923968
n3:jazykVysledku
n14:eng
n3:klicovaSlova
Optoelectronics; Bandstructure; DFT; Chalcopyrite semiconductors
n3:klicoveSlovo
n7:DFT n7:Bandstructure n7:Optoelectronics n7:Chalcopyrite%20semiconductors
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[6DB8341F7C42]
n3:nazevZdroje
Materials Science in Semiconductor Processing
n3:obor
n5:BE
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
4
n3:projekt
n12:ED2.1.00%2F03.0088
n3:rokUplatneniVysledku
n9:2014
n3:svazekPeriodika
26
n3:tvurceVysledku
Al-Jaary, Ali H. Reshak Sibghat, Ullah Khenata, R. Murtaza, G.
n3:wos
000344823400011
s:issn
1369-8001
s:numberOfPages
8
n16:doi
10.1016/j.mssp.2014.03.053
n10:organizacniJednotka
23640