Application of a self-consistent NEGF procedure to study the coherent transport with phase breaking scattering in low dimensional systems

2016 ◽  
Author(s):  
Surender Pratap ◽  
Niladri Sarkar
2021 ◽  
Vol 31 (8) ◽  
pp. 083104
Author(s):  
J. V. Gomes ◽  
M. C. de Sousa ◽  
R. L. Viana ◽  
I. L. Caldas ◽  
Y. Elskens

NANO ◽  
2012 ◽  
Vol 07 (04) ◽  
pp. 1250031 ◽  
Author(s):  
D. ROY MAHAPATRA ◽  
M. WILLATZEN ◽  
R. V. N. MELNIK ◽  
B. LASSEN

This paper presents a detailed investigation of the effects of piezoelectricity, spontaneous polarization and charge density on the electronic states and the quasi-Fermi level energy in wurtzite-type semiconductor heterojunctions. This has required a full solution to the coupled Schrödinger–Poisson–Navier model, as a generalization of earlier work on the Schrödinger–Poisson problem. Finite-element-based simulations have been performed on a AlN/GaN quantum well by using both one-step calculation as well as the self-consistent iterative scheme. Results have been provided for field distributions corresponding to cases with zero-displacement boundary conditions and also stress-free boundary conditions. It has been further demonstrated by using four case study examples that a complete self-consistent coupling of electromechanical fields is essential to accurately capture the electromechanical fields and electronic wavefunctions. We have demonstrated that electronic energies can change up to approximately 0.5 eV when comparing partial and complete coupling of electromechanical fields. Similarly, wavefunctions are significantly altered when following a self-consistent procedure as opposed to the partial-coupling case usually considered in literature. Hence, a complete self-consistent procedure is necessary when addressing problems requiring more accurate results on optoelectronic properties of low-dimensional nanostructures compared to those obtainable with conventional methodologies.


1996 ◽  
Vol 10 (13) ◽  
pp. 599-607 ◽  
Author(s):  
M.F. PASCUAL ◽  
A.L. ROSA ◽  
V.I. ZUBOV

In order to study the interatomic correlation moments (QCM) and the mean square relative atomic displacements (MSRD), there has been employed the correlative method of unsymmetrized self-consistent field (CUSF). In the second order of CUSF we have calculated the longitudinal and transversal components of QCM and MSRD between the nearest, second and fourth neighbors, in the simple cubic lattice. The results are discussed in relation to those obtained previously for low-dimensional models.


2021 ◽  
Author(s):  
Matteo Di Volo ◽  
Marco Segneri ◽  
Denis Goldobin ◽  
Antonio Politi ◽  
Alessandro Torcini

We present a detailed analysis of the dynamical regimes observed in a balanced network of identical Quadratic Integrate-and-Fire (QIF) neurons with a sparse connectivity for homogeneous and heterogeneous in-degree distribution. Depending on the parameter values, either an asynchronous regime or periodic oscillations spontaneously emerge. Numerical simulations are compared with a mean field model based on a self-consistent Fokker-Planck equation (FPE). The FPE reproduces quite well the asynchronous dynamics in the homogeneous case by either assuming a Poissonian or renewal distribution for the incoming spike trains. An exact self consistent solution for the mean firing rate obtained in the limit of infinite in-degree allows identifying balanced regimes that can be either mean- or fluctuation-driven. A low-dimensional reduction of the FPE in terms of circular cumulants is also considered. Two cumulants suffice to reproduce the transition scenario observed in the network. The emergence of periodic collective oscillations is well captured both in the homogeneous and heterogeneous setups by the mean field models upon tuning either the connectivity, or the input DC current. In the heterogeneous situation we analyze also the role of structural heterogeneity.


ACS Nano ◽  
2011 ◽  
Vol 5 (8) ◽  
pp. 6109-6118 ◽  
Author(s):  
Davide Mencarelli ◽  
Luca Pierantoni ◽  
Marco Farina ◽  
Andrea Di Donato ◽  
Tullio Rozzi

1999 ◽  
Vol 173 ◽  
pp. 37-44
Author(s):  
M.D. Melita ◽  
A. Brunini

AbstractA self-consistent study of the formation of planetary bodies beyond the orbit of Saturn and the evolution of Kuiper disks is carried out by means of an N-body code where accretion and gravitational encounters are considered. This investigation is focused on the aggregation of massive bodies in the outer planetary region and on the consequences of such process in the corresponding cometary belt. We study the link between the bombardment of massive bodies and mass depletion and eccentricity excitation.


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