QC351 : Investigation of electronic and magnetic properties of transition mextals doped BN nanosheets
Thesis > Central Library of Shahrood University > Physics > MSc > 2016
Authors:
akram malek [Author], Tayebeh Movlarooy[Supervisor], Saeid Hessami Pilehrood[Advisor]
Abstarct: Diluted magnetic semiconductors (DMS) are materials that simultaneously exhibit ferromagnetic and semiconducting properties. they are common semiconductor materials containing a few atomic percent of transition mextal (TM) ions substituted with the cation sites. Among ferromagnetic III-V semiconductors , the (B,TM)N DMS is the most well understood and promising applicatins in spintronics, since the high Curie temperature of above the room temperture. In this work, the electronic and magnetic properties of pure and doped BN nanosheets with 3d transition mextal are C atom were studied baxsed on spin polarised density functional theory using the generalized gradient approximation (GGA) with SIESTA code. The calculations have been done on armchair(3,3) and zigzag (5,0) BN nanosheets. The results revealed the semiconductors properties of this nanosheets. The electronic structures show that both zigzag and armchair BN nanosheets are semiconductors with direct band gap. The symmetry of density of states indicates the non magnetic properties of pure BN nanosheets. Armchair (3,3) and zigzag (5,0) BN nanosheets were doped with 3d transition mextals. The spin polarised density of states calculation revealed that transition mextal doped BN nanosheets (BNNSs) are diluted magnetic semiconductor, with %5 Co in edge and doped %10 Cr doping in edge state of zigzag(5,0) and %11.11 Mn,Co in edge state of armchair(3,3) BN nanosheets, Half mextals (HM) properties have seen which have good application in spintronic and especially as spin filter devices. Co doping show the most stable ferromagnetic phases in both types of nanosheets. The stable phase of Fe doped zigzag nanosheet are antiferromagnetic in all positions while for the rest of TMs, depending on the position of doping ferromagnetic and antiferromagnetic phases can be observed.By doping TMs the total magnetic moment increases at first from Ti to Fe and reached to the maximum value in Fe dopant and afterwards decreases from Fe to Cu, by increasing the atomic number. By C doped in armchair (3,3) nanosheets the value of band gap decrease and a magnetic moment observed. The results are of significant importance for the experimental works on DMSs and systemically investigations in transition mextals. Considering the obtained results from this study and flexibility of BN nano-sheets in presence of doping and having feromagnetic property in room temperature, BN nanosheets doped with transition mextals are offered as good candidate to be applied in spintronic devises, spin current filters and spin current injectors.
Keywords:
#BN nanosheets #density function theory #SIESTA code #diluted magnetic semiconductor (DMS) #spintronic Link
Keeping place: Central Library of Shahrood University
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