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Electronic structure and kinetic phenomena

Electronic structure of a nanocrystallite

E G Barbagiovanni, D J Lockwood, P J Simpson, L V Goncharova, Quantum confinement in Si and Ge nanostructures: Theory and experiment, APR 1, 011302 (2014)

L Ramos, H Weissker, J Furthmuller, F Bechstedt, Optical properties of Si and Ge nanocrystals: Parameter-free calculations, PSSB 242, 3053 (2005)


M Dogan, K Liou, J Chelikowsky, Solving the electronic structure problem for over 100000 atoms in real space, PRM 7, l063001 (2023) – doi

Lioudakis E, Othonos A, Hadjisavvas G C, Kelires P C, Nassiopoulou A G, Quantum confinement and interface structure of Si nanocrystals of sizes 3-5 nm embedded in a-SiO2, PE 38, 128 (2007)

Hadjisavvas G, Kelires P C, Theory of interface structure, energetics, and electronic properties of embedded Si/a-SiO2 nanocrystals, PE 38, 99 (2007)

Kroll P, Schulte H J, Shell-like structure of valence band orbitals of silicon nanocrystals in silica glass, PSSB 243, R47 (2006)

Luppi M, Ossicini S, Ab initio study on oxidized silicon clusters and silicon nanocrystals embedded in SiO2: Beyond the quantum confinement effect, PRB 71, 035340 (2005)

Ramos L E, Furthmuller J, Bechstedt F, Reduced influence of defects on oxidized Si nanocrystallites, PRB 71, 035328 (2005)

Ramos L E, Furthmuller J, Bechstedt F, Effect of backbond oxidation on silicon nanocrystallites, PRB 70, 033311 (2004)

Daldosso N, Luppi M, Ossicini S, Degoli E, Magri R, Dalba G, Fornasini P, Grisenti R, Rocca F, Pavesi L, Boninelli S, Priolo F, Spinella C, Iacona F, Role of the interface region on the optoelectronic properties of silicon nanocrystals embedded in SiO2, PRB 68, 085327 (2003)

Allan G, Delerue C, Efficient intraband optical transitions in Si nanocrystals, PRB 66, 233303 (2002)

Delerue C, Lannoo M, Allan G, Excitonic and quasiparticle gaps in Si nanocrystals, PRL 84, 2457 (2000) – e, cor

Electronic structure of a nanowire and porous silicon

Vo T, Williamson A J, Galli G, First principles simulations of the structural and electronic properties of silicon nanowires, PRB 74, 045116 (2006)

Leu P W, Shan B, Cho K, Surface chemical control of the electronic structure of silicon nanowires: Density functional calculations, PRB 73, 195320 (2006)

Zhao X, Wei C M, Yang L, Chou M Y, Quantum confinement and electronic properties of silicon nanowires, PRL 92, 236805 (2004)

Degoli E, Luppi M, Ossicini S, From undulating Si quantum wires to Si quantum dots: A model for porous silicon, PSSA 182, 301 (2000)


Yorikawa H, Sato T, Muramatsu S, Theoretical study of band edges in porous silicon, JAP 95, 3569 (2004)

Traps

Братусь В Я, Окулов С М, Каганович Э Б, Кизяк И М, Манойлов Э Г, Исследование методом электронного парамагнитного резонанса пленок нанокристаллического кремния, полученных импульсным лазерным осаждением, ФТП 38, 621 (2004)

Ninno D, Buonocore F, Cantele G, Iadonisi G, Impurity and topological surface states in porous silicon, PSSA 182, 285 (2000)

Doped nanosilicon

Iori F, Degoli E, Luppi E, Magri R, Marri I, Cantele G, Ninno D, Trani F, Ossicini S, Doping in silicon nanocrystals: An ab initio study of the structural, electronic and optical properties, J Lumin 121, 335 (2006) – е

Fernandez-Serra M V, Adessi C, Blase X, Surface segregation and backscattering in doped silicon nanowires, PRL 96, 166805 (2006) – е

Cantele G, Degoli E, Luppi E, Magri R, Ninno D, Iadonisi G, Ossicini S, First-principles study of n- and p-doped silicon nanoclusters, PRB 72, 113303 (2005)

Zhou Z, Steigerwald M L, Friesner R A, Brus L, Hybertsen M S, Structural and chemical trends in doped silicon nanocrystals: First-principles calculations, PRB 71, 245308 (2005) – е

Blomquist T, Kirczenow G, Poisson-Schrodinger and ab initio modeling of doped Si nanocrystals: Reversal of the charge transfer between host and dopant atoms, PRB 71, 045301 (2005)

Саченко А В, Корбутяк Д В, Крюченко Ю В, Сресели О М, Экситонная фотолюминесценция в легированных квази-1D структурах на основе кремния, ФТП 38, 479 (2004) – е

Electronic kinetic phenomena

Саченко А В, Корбутяк Д В, Крюченко Ю В, Купчак І М, Високотемпературна екситонна рекомбінація в кремнії і кремнієвих наноструктурах, УФЖО 3, 70 (2006) – е

Mihalcescu I, Vial J C, Bsiesy A, Muller A, Romestain R, Martin E, Delerue C, Lannoo M, Allan G, Saturation and voltage quenching of porous-silicon luminescence and the importance of the Auger effect, PRB 51, 17605 (1995)

Fishman G, Romestain R, Vial J C, Experimental and theoretical aspects of radiative processes in porous silicon, J Lumin 57, 235 (1993)

Lannoo M, Delerue C, Allan G, Nonradiative recombination on dangling bonds in silicon nanocrystallites, J Lumin 57, 243 (1993)