Full-band approaches for the quantum treatment of nanometer-scale MOS structures

Sacconi, F.; Povolotskyi, Michael; Carlo, Aldo Di; Lugli, Paolo; Städele, M.; Strahberger, C.; Vogl, P.

doi:10.1016/s0921-4526(01)01388-6

Cited by 3 publications

(5 citation statements)

References 13 publications

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“…A new empirical PP related approach based on the LCBB has been recently applied to the nanostructure problem [21,[349][350][351] and to devices [29,259,352,353]. Here, the physical starting point for a description of the nanostructure is the Bloch functions of the materials forming the nanostructure, described in terms of local empirical PPs.…”

Section: Empirical Pseudopotential Methods: the Linear Combination Of...mentioning

confidence: 99%

“…This approach, without any approximation, was later applied by Wang et al [21] to the problem of -X mixing in low-dimensional nanostructures containing as many as one million atoms, and it was subsequently extended to strained nanostructures [349]. The self-consistent version of the LCBB method has been developed by Chirico et al and applied to AlGaAs/GaAs HEMT devices [29] and Si-based MOS devices [259,352,353,357]. In the following, we describe briefly the LCBB method; further details can be found in [21,29,349].…”

Section: Empirical Pseudopotential Methods: the Linear Combination Of...mentioning

confidence: 99%

“…The atomic nature of the problem, where details of the oxide structure and the oxidesilicon interface have strong impact on the tunnelling current, calls for an atomistic description of the system. TB methods have recently been applied to the study of tunnelling currents in ultra-thin MOS structures [17,116,259]. A comparison between the ab initio density functional approach and the TB method to treat atomic-scale modelling of gate dielectrics is given in [16].…”

Section: Tunnelling Devicesmentioning

confidence: 99%

“…A typical MOS system [259] consists of a Si[001]/betacristobalite-SiO 2 /Si[001] nanostructure (see figure 13) obtained following the model described in [260]. The interfaces of these structures do not contain any dangling bonds.…”

Section: Tunnelling Devicesmentioning

confidence: 99%

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Microscopic theory of nanostructured semiconductor devices: beyond the envelope-function approximation

Carlo

2002

Semicond. Sci. Technol.

116

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Effects of hydrostatic pressure on the electron gparallel factor and g-factor anisotropy inGaAs-(Ga, Al)As quantum wells under magnetic fields N Porras-Montenegro, C A Duque, E Reyes-Gómez et al. Electron g-factor study in {\rm Ga}_{1-x}In_{x}{\rm As}_{y}{\rm Sb}_{1-y}\hbox{--}{\rm GaSb} and {\rm GaSb}\hbox{--}{\rm Ga}_{1-x}{\rm In}_{x}{\rm As}_{y}{\rm Sb}_{1-y}\hbox{--}{\rm GaSb} quaternary alloy semiconductor SQDSQDs (SQDs) R Sánchez-Cano and N Porras-Montenegro Laser-dressing effects on the electron g factor in low-dimensional semiconductor systems under applied magnetic fields F E López, E Reyes-Gómez, H S Brandi et al. Jumping magneto-electric states of electrons in semiconductor multiple quantum wells Pawel Pfeffer and Wlodek Zawadzki Magnetic field effect on electron spin dynamics in (110) GaAs quantum wells G Wang, A Balocchi, A V Poshakinskiy et al. AbstractThe electron effective g factor tensor in asymmetric III-V semiconductor quantum wells (AQWs) and its tuning with the structure parameters and composition are investigated with envelope-function theory and the´k p 8 8 · Kane model. The spin-dependent terms in the electron effective Hamiltonian in the presence of an external magnetic field are treated as a perturbation and the g factors * g and *

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Section: Empirical Pseudopotential Methods: the Linear Combination Of...mentioning

confidence: 99%

Section: Empirical Pseudopotential Methods: the Linear Combination Of...mentioning

confidence: 99%

Section: Tunnelling Devicesmentioning

confidence: 99%

Section: Tunnelling Devicesmentioning

confidence: 99%

See 2 more Smart Citations

Microscopic theory of nanostructured semiconductor devices: beyond the envelope-function approximation

Carlo

2002

Semicond. Sci. Technol.

116

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“…The atomic nature of the problem, where details of oxide structure and oxide-silicon interface have strong impact on the tunnelling current, calls for an atomistic description of the system. TB methods have been recently applied to study tunnelling currents in ultrathin MOS structures (Städele et al 2000, Demkov et al 2001, Sacconi et al 2002b. A comparison between ab initio density functional approach and TB method to treat atomic scale modelling of gate dielectrics is given in Kawamoto et al (2000).…”

Section: Gate Leakage Current In Mosmentioning

confidence: 99%

Atomistic theory of transport in organic and inorganic nanostructures

2004

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As the size of modern electronic and optoelectronic devices is scaling down at a steady pace, atomistic simulations become necessary for an accurate modelling of their structural, electronic, optical and transport properties. Such microscopic approaches are important in order to account correctly for quantum-mechanical phenomena affecting both electronic and transport properties of nanodevices. Effective bulk parameters cannot be used for the description of the electronic states since interfacial properties play a crucial role and semiclassical methods for transport calculations are not suitable at the typical scales where the device behaviour is characterized by coherent tunnelling.Quantum-mechanical computations with atomic resolution can be achieved using localized basis sets for the description of the system Hamiltonian. Such methods have been extensively used to predict optical and electronic properties of molecules and mesoscopic systems.The most important approaches formulated in terms of localized basis sets, from empirical tight-binding (TB) to first principles methods, are here reviewed. Being a full band approach, even the simplest TB overcomes the limitations of envelope function approximations, such as the well-known k • p, and allows to retain atomic details and realistic band structures. First principles calculations, on the other hand, can give a very accurate description of the electronic and structural properties.Transport in nanoscale devices cannot neglect quantum effects such as coherent tunnelling. In this context, localized basis sets are well-suited for the formal treatment of quantum transport since they provide a simple mathematical framework to treat open-boundary conditions, typically encountered when the system eigenstates carry a steady-state current.We review the principal methods used to formulate quantum transport based on local orbital sets via transfer matrix and Green's function (GF) techniques. We start from a general introduction to the scattering theory which leads to the Landauer formula, and then report on the most recent progresses of the field including the application of the self-consistent non-equilibrium GF formalism.

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Two-dimensional modeling of etched strained-silicon quantum wires

Curatola

Iannaccone

2004

Journal of Applied Physics

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We present two-dimensional simulations of different types of strained-silicon quantum wires obtained by selective etching on silicon germanium heterostructures. Such structures are promising both for emerging ballistic devices in silicon compatible technology and for innovative nanoscale field-effect transistors. Numerical modeling has been performed with a procedure designed to solve the Poisson–Schrödinger equation for electrons and holes, that takes into account the effect of strain on the band structure, conduction band anisotropy, and the effect of states at the exposed surfaces. We show that the simulations provide insights into the capability to control the wire via an external gate voltage, and into the dependence of wire properties on geometry and surface states.

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Full-band approaches for the quantum treatment of nanometer-scale MOS structures

Cited by 3 publications

References 13 publications

Microscopic theory of nanostructured semiconductor devices: beyond the envelope-function approximation

Microscopic theory of nanostructured semiconductor devices: beyond the envelope-function approximation

Atomistic theory of transport in organic and inorganic nanostructures

Two-dimensional modeling of etched strained-silicon quantum wires

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