000171606 001__ 171606
000171606 005__ 20180913060943.0
000171606 0247_ $$2doi$$a10.1016/j.mee.2010.09.006
000171606 022__ $$a0167-9317
000171606 02470 $$2ISI$$a000288524100017
000171606 037__ $$aCONF
000171606 245__ $$aElectron density of states at Ge/oxide interfaces due to GeOx formation
000171606 260__ $$bElsevier$$c2011
000171606 269__ $$a2011
000171606 336__ $$aConference Papers
000171606 520__ $$aAn atomistic model of substoichiometric germanium oxide is generated through ab initio molecular dynamics. The resulting structure shows a predominance of threefold coordinated Ge and O atoms. We also generate substoichiometric models through bond-switching Monte-Carlo simulations, which preserve the fourfold Ge and the twofold O coordinations. These differing structures are energetically competitive. Alignment of their electron densities of states to that of GeO2 reveals that the band-gap reduction is similar for both structures, mainly occurring through a shift of the valence band edge. (C) 2010 Elsevier B.V. All rights reserved.
000171606 6531_ $$aSubstoichiometric oxides
000171606 6531_ $$aBond energy
000171606 6531_ $$aCore-Level Shifts
000171606 6531_ $$aSi
000171606 6531_ $$aPseudopotentials
000171606 6531_ $$aOxygen
000171606 6531_ $$aBand
000171606 700__ $$0243562$$g185220$$aBinder, Jan Felix
000171606 700__ $$0243561$$g169277$$aBroqvist, Peter
000171606 700__ $$aPasquarello, Alfredo$$g109250$$0241891
000171606 7112_ $$dJun 07-11, 2010$$cStrasbourg, FRANCE$$aEMRS 2010 Spring Meeting on Post-Si-CMOS Electronic Devices - The Role of Ge and III-V Materials
000171606 773__ $$j88$$tMicroelectronic Engineering$$q391-394
000171606 909C0 $$xU10186$$0252232$$pCSEA
000171606 909CO $$pconf$$pSB$$ooai:infoscience.tind.io:171606
000171606 917Z8 $$x109250
000171606 937__ $$aEPFL-CONF-171606
000171606 973__ $$rNON-REVIEWED$$sPUBLISHED$$aEPFL
000171606 980__ $$aCONF