LEADER 04649nam 22008415 450 001 9910300400303321 005 20200702135737.0 010 $a3-319-07182-3 024 7 $a10.1007/978-3-319-07182-4 035 $a(CKB)3710000000119153 035 $a(EBL)1731160 035 $a(OCoLC)884587882 035 $a(SSID)ssj0001248634 035 $a(PQKBManifestationID)11751275 035 $a(PQKBTitleCode)TC0001248634 035 $a(PQKBWorkID)11203768 035 $a(PQKB)10616927 035 $a(MiAaPQ)EBC1731160 035 $a(DE-He213)978-3-319-07182-4 035 $a(PPN)178785512 035 $a(EXLCZ)993710000000119153 100 $a20140528d2014 u| 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aVibrational Properties of Defective Oxides and 2D Nanolattices $eInsights from First-Principles Simulations /$fby Emilio Scalise 205 $a1st ed. 2014. 210 1$aCham :$cSpringer International Publishing :$cImprint: Springer,$d2014. 215 $a1 online resource (157 p.) 225 1 $aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5053 300 $a"Doctoral Thesis accepted by KU Leuven, Belgium." 311 $a3-319-07181-5 320 $aIncludes bibliographical references at the end of each chapters. 327 $aIntroduction -- Theoretical Methods -- First-Principles Modelling of Vibrational Modes in Defective Oxides -- Vibrational Properties of Silicene and Germanene -- Interaction of Silicene with Non-Metallic Layered Templates -- Conclusions and Perspectives -- Appendix for Experimental Techniques. 330 $aGe and III?V compounds, semiconductors with high carrier mobilities, are candidates to replace Si as the channel in MOS devices. 2D materials ? like graphene and MoS_2 ? are also envisioned to replace Si in the future.   This thesis is devoted to the first-principles modeling of the vibrational properties of these novel channel materials.   The first part of the thesis focuses on the vibrational properties of various oxides on Ge, making it possible to identify the vibrational signature of specific defects which could hamper the proper functioning of MOSFETs.   The second part of the thesis reports on the electronic and vibrational properties of novel 2D materials like silicene and germanene, the Si and Ge 2D counterparts of graphene. The interaction of these 2D materials with metallic and non-metallic substrates is investigated. It was predicted, for the first time, and later experimentally confirmed, that silicene could be grown on a non-metallic template like MoS_2, a breakthrough that could open the door to the possible use of silicene in future nanoelectronic devices. 410 0$aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5053 606 $aSemiconductors 606 $aOptical materials 606 $aElectronics$xMaterials 606 $aMathematical physics 606 $aElectronic circuits 606 $aSurfaces (Physics) 606 $aInterfaces (Physical sciences) 606 $aThin films 606 $aSemiconductors$3https://scigraph.springernature.com/ontologies/product-market-codes/P25150 606 $aOptical and Electronic Materials$3https://scigraph.springernature.com/ontologies/product-market-codes/Z12000 606 $aTheoretical, Mathematical and Computational Physics$3https://scigraph.springernature.com/ontologies/product-market-codes/P19005 606 $aElectronic Circuits and Devices$3https://scigraph.springernature.com/ontologies/product-market-codes/P31010 606 $aSurface and Interface Science, Thin Films$3https://scigraph.springernature.com/ontologies/product-market-codes/P25160 615 0$aSemiconductors. 615 0$aOptical materials. 615 0$aElectronics$xMaterials. 615 0$aMathematical physics. 615 0$aElectronic circuits. 615 0$aSurfaces (Physics) 615 0$aInterfaces (Physical sciences) 615 0$aThin films. 615 14$aSemiconductors. 615 24$aOptical and Electronic Materials. 615 24$aTheoretical, Mathematical and Computational Physics. 615 24$aElectronic Circuits and Devices. 615 24$aSurface and Interface Science, Thin Films. 676 $a620.5 700 $aScalise$b Emilio$4aut$4http://id.loc.gov/vocabulary/relators/aut$0791858 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910300400303321 996 $aVibrational Properties of Defective Oxides and 2D Nanolattices$91770507 997 $aUNINA