Journal of Computational Electronics 1: 503–513, 2002 c 2003 Kluwer Academic Publishers. Manufactured in The Netherlands. The Use of Quantum Potentials for Confinement and Tunnelling in Semiconductor Devices A. ASENOV, J.R. WATLING AND A.R. BROWN Device Modelling Group, Department of Electronics and Electrical Engineering, University of Glasgow, Glasgow G12 8LT, UK A.Asenov@elec.gla.ac.uk D.K. FERRY Department of Electrical Engineering, Arizona State University, Tempe, AZ 85287-5706, USA Abstract. As MOSFETs are scaled to sub 100 nm dimensions, quantum mechanical confinement in the direction normal to the silicon dioxide interface and tunnelling (through the gate oxide, band-to-band and from sourceto-drain) start to strongly affect their characteristics. Recently it has been demonstrated that first order quantum corrections can be successfully introduced in self-consistent drift diffusion-type models using Quantum Potentials. In this paper we describe the introduction of such quantum corrections within a full 3D drift diffusion simulation framework. We compare the two most popular quantum potential techniques: density gradient and the effective potential approaches, in terms of their justification, accuracy and computational efficiency. The usefulness of their 3D implementation is demonstrated with examples of statistical simulations of intrinsic fluctuation effects in decanano MOSFETs introduced by discrete random dopants. We also discuss the capability of the density gradient formalism to handle direct source-to-drain tunnelling in sub 10 nm double-gate MOSFETS, illustrated in comparison with Non-Equilibrium Green’s Functions simulations. Keywords: numerical simulations, quantum corrections, quantum potential, density gradient, effective potential, MOSFETs, intrinsic fluctuations 1. Introduction Conventional MOSFETs scaled down to 15 nm gate lengths have been successfully demonstrated (Thompson et al. 2001). Scaling below this milestone involves intolerably thin gate oxides and unacceptably high channel doping and may require a departure from the conventional MOSFET concepts. The most promising of the new device architectures remains the double gate MOSFET (Hisamoto 2001) which retains useful field effect action to gate lengths below 5 nm, utilising affordable oxide thicknesses and no channel doping. The combination of thin gate oxides and heavy doping in conventional MOSFETs, and the thin silicon body of the double-gate structures, will result in substantial quantum mechanical (QM) threshold voltage shifts, gate leakage tunnelling and transconductance degradation (Jallepalli et al. 1997). Additionally, below 10 nm gate-lengths direct sourceto-drain tunnelling will rapidly became one of the major limiting factors for scaling (Ren et al. 2001, Watling et al. 2002). In conventional MOSFETs gate assisted band-to-band tunnelling may also increase to unacceptable levels with the increase of the channel doping. Computationally efficient methods for including QM effects are required for the purpose of practical Computer Aided Design (CAD) of current, and next generation, devices. However, at present, complete quantum simulations involving, for example, Wigner or Green’s functions (Ren et al. 2001, Svizhenko et al. 2002) are computationally expensive and are therefore 504 Asenov conventional architecture. Finally we discuss the possibility of emulating source-to-drain tunnelling in sub 10 nm double gate MOSFETs using the DG formalism. 2. Figure 1. Schematic illustration of various possible quantum effects that are likely to be important within a MOSFET. A conventional MOSFET architecture is depicted. not suitable for inclusion within CAD simulation tools. First order quantum corrections based on the Density Gradient (DG) formalism (Ancona and Iafrate 1989) have already been successfully introduced in 2D (Rafferty et al. 1998) and 3D (Asenov et al. 1999) drift-diffusion simulations. In addition, an Effective Potential (EP) approach for introducing quantum corrections in classical and semi-classical simulations has been proposed (Ferry 2000) and demonstrated in Monte Carlo MOSFET simulations (Ferry, Akis and Vasileska 2000). The quantum mechanical effects affecting the operation and the performance of conventional MOSFETs are depicted schematically in Fig. 1. In this paper we focus mainly on the simulation of QM confinement effects in conventional MOSFETs using the aforementioned DG and EP approaches. We also discuss the handling of source-drain tunnelling in double-gate devices using DG simulations. We discuss and compare the implementation of the above two quantum correction techniques in our 3D drift diffusion type simulator, using a self-adjusting technique for updating the potential (Stern 1970, Watling et al. 2001), similar to the procedure used in the self-consistent solution of the Schrödinger-Poisson equations. We start by discussing the derivation and the interpretation of the two quantum correction techniques. The calibration of our quantum corrected simulations in respect of more comprehensive and accurate quantum simulation techniques then follows. Further, we compare the influence of the quantum corrections on 3D ‘atomistic’ statistical simulations of intrinsic fluctuations, introduced by random discrete dopants, in nano-scale MOSFETs with Quantum Potentials We are motivated by the need to introduce computationally efficient quantum corrections in our 3D driftdiffusion ‘atomistic’ simulator, presently used to investigate the intrinsic fluctuations in decanano MOSFETs which are introduced by the discreteness of charge and atomicity of matter (Asenov et al. 1999, 2001). The investigation of intrinsic fluctuation effects involves statistical 3-D simulations of large samples of macroscopically identical but microscopically different devices. To extract averages and standard deviations we typically simulate samples of 200 devices which are microscopically different in terms of discrete dopant distribution, interface pattern and line edge roughness. Therefore the computational efficiency of the quantum correction approach is of great importance and the use of quantum potentials becomes an attractive option. 2.1. The Density Gradient Formalism The density gradient formalism may be derived from the equation of motion for the one particle Wigner function (Ancona and Iafrate 1989, Carruthers and Zachariasen 1983): ∂ f (p, r, t) 2 + v · ∇r f (p, r, t) − V (r) ∂t h ← → h ∇ r ∇p × sin f (p, r, t) = 0 2 (1) The quantum effects are included through the inherently non-local driving potential in the third term on the left-hand side, where it is understood that ∇r acts only on V and ∇p acts only on the distribution function f . The operator within the sum may be written in terms of a power series, so that the transport equation for the Wigner distribution function may be written in the form of a modified Boltzmann Transport Equation (BTE) as (Iafrate, Grubin and Ferry 1982, Tsuchiya, Winstead and Ravaioli 2001): ∞ ∂f 1 h (2α−1) (−1)α+1 + v · ∇r f − ∇r V · ∇k f + ∂t h 4α (2α + 1)! α=1 ∂f × (∇r V · ∇k f )2α+1 = (2) ∂t Coll Quantum Potentials in Semiconductor Devices where V represents the electrostatic potential. Expanding to first order in h, so that only the first non-local quantum term is considered, has been shown to be sufficiently accurate to model non-equilibrium quantum transport and also for the inclusion of tunnelling phenomena in particle based Monte Carlo simulators (Tsuchiya and Miyoshi 2000, Tsuchiya, Fischer and Hess 2000). Although it is tempting to expand the non-local term to higher powers of Planck’s constant, this may lead to spurious results since the equation of motion is not analytic in h (Barker 1992). The additional, non-classical, quantum correction term may be viewed as a modification to the classical potential and acts like an additional quantum force term in particle simulations, similar in spirit to the Bohm interpretation. It should be noted that in the limit of slow spatial variations, e.g., for gutter-like potentials, the non-local terms disappear and the equation reduces to the classical BTE. However, in order to obtain a correction that may be used efficiently in device simulators it is necessary to make an assumption regarding the carrier distribution function. The following form of the distribution is usually assumed: 2 h (ki − ki )2 f = exp −β , + V (r ) − E f 2m ∗ h 2 (ki − ki )2 kB T ≈ ∗ 2m 2 ∂2V ∂ 2 (ln n) ≈ −k T B ∂x2 ∂x2 (4) where: h 2 ∂ 2 (ln n) ∂ V− =− ∂x 12m ∗ ∂ x 2 Thus using these approximations the current may be written as: J = qnµn E + q Dn ∂ ne−βVqc ∂x n(x) = Nc exp{−β[V (x) + Vqc (x) − E f ]} (7) (8) By expanding the term e−βVqc and taking the lowestorder component we obtain what is termed the density gradient approximation: √ ∂ 2 n/∂ x 2 √ n (9) The additional quantum potential term which is proportional to the second-derivative of the root of the density may be taken as an additional term in the quasiFermi level so that the electronic equation of state becomes similar to that of an ideal gradient gas1 (Ancona and Iafrate 1989, Chapman and Cowling 1952) for typical low-density, high-temperature semiconductors, which includes an additional term that is dependent on the gradient of the carrier density (Rafferty et al. 1998): √ ∇2 n kB T n 2bn √ = φn − ψ + ln q ni n 2 (6) We may in turn write the carrier distribution in equilibrium as: = n cl (x) exp[−βVqc (x)] (1) The electron temperature is equal to the lattice temperature and the electron temperature gradient is zero and (2) The v · ∇v term is assumed to be small compared to other terms and can be neglected. (3) where β = 1/k B T . The quantum-corrected BTE may be written in onedimension, without loss of generality, as: ∂f 1 ∂f + v · ∇r f + F qc · ∇k f = (5) ∂t h ∂t coll Fxqc h 2 ∂ 2 (ln n) and n represents the where: Vqc (x) = − 12m cl ∗ ∂x2 classical carrier density without the quantum corrections. The density gradient approximation in a driftdiffusion context may be derived in a manner similar to that for deriving the drift-diffusion approximation from the Boltzmann Transport Equation (Snowden 1989) making the following assumptions: ∂n qnµn h 2 ∂ J = qnµn E + q Dn + ∂x 6m ∗ ∂ x for each independent spatial coordinate, i, along with: 505 (10) Where bn = 4qhm ∗ r ; all other symbols have their usual n meaning and r is a dimensionless parameter. In situations with strong quantum confinement, (when only a single sub-band is occupied) the parameter r is considered equal to 1. However, as more subbands become filled, for example due to increase in temperature, statistical averaging causes r to change, approaching 3 asymptotically (Perrot 1979, Ancona 2000). 506 Asenov Throughout this paper we have assumed that r is equal to 3. This results in a quantum potential correction term in the standard drift-diffusion flux (Rafferty et al. 1998). √ ∇2 n Fn = nµn ∇ψ + Dn ∇n + 2nµn ∇ bn √ (11) n To avoid the discretisation of fourth order derivatives in multidimensional numerical simulations a generalised electron quasi-Fermi potential φn is usually introduced: Fn = nµn ∇φn (12) Thus the unipolar drift-diffusion system of equations with QM corrections, which in most of the cases is sufficient for MOSFET simulations, becomes: ∇ · (ε∇ψ) = −q( p − n + N D+ − N A− ) (13) √ n ∇2 n kB T (14) 2bn √ ln = φn − ψ + q ni n ∇ · (nµn ∇φn ) = 0 (15) The system of Eqs. (13)–(15), where Eq. (13) represents Poisson’s equation and Eq. (15) the current continuity equation, are solved self-consistently until convergence. where λD = 2πh 2 m∗k B T (17) is the thermal de-Broglie wavelength (Fetter and Walecka 1971). The Fourier transform of Eq. (16), may be taken to obtain the real space wave packet: π πr 2 ψ(r ) = √ (18) exp − 2 λD ( 2λ D )3/2 Taking into account the spatial extent of the carriers in the simulations of semiconductor devices leads naturally to the concept of an effective potential. The concept of the effective potential can be understood by noting that the classical potential, in an inhomogeneous system, enters the Hamiltonian as: HV = drV (r)n(r) (19) Using the non-local form for the charge distribution now leads to: V = drV (r) n i (r) i = = |r − r |2 dr exp − δ(r − ri ) 2 α i |r − r |2 drδ(r − ri ) dr V (r ) exp − α2 drV (r) i (20) 2.2. The Effective Potential Approach An alternative approach to the DG formalism for including first order quantum corrections is the effective potential (EP) approach (Ferry 2000, Ferry, Akis and Vasileska 2000). In this approach a spatially-localised wave packet is used as a representation of an electron. Moving from the classical particle representation to the quantum particle-like representation, we go from a point charge representation of the electron to a natural wave packet representation, with size which is defined roughly by the thermal de-Broglie wavelength. Considering the momentum space distribution description of the occupied plane wave states, which contribute to the electron wave packet, the normalised momentum space distribution is defined as: ϕ(k) = 2 λD 2 3/4 2 2 λ k exp − D 4π (16) where the summation over i is a summation over the carriers themselves. The last form has been achieved by interchanging the primed and unprimed variables and rewriting the integrals. The term in the primed integral is now the effective potential and the finite size of the electron has been resolved by the ‘smoothing’ of the real classical potential. Here a minimum dispersion Gaussian form for the electron wave packet is assumed, although there is no requirement in (20) that this form be used. The effective potential, Veff , is thus obtained by convolving the Gaussian wavepacket with the classical conduction band profile VClassical (obtained from the solution of Poisson’s equation). Thus Veff is given by: Veff = VClassical (x + y)G(y, a0 ) dy (21) where G is a Gaussian with standard deviation a0 . A schematic illustration of the effective potential and the Quantum Potentials in Semiconductor Devices Figure 2. Schematic illustration of the effective potential, corresponding to the classical potential of a triangular quantum well. The important aspects of the effective potential are indicated. et al. 1997, Hisamoto 2001). The effective mass and the standard deviation of the wave-packet are considered to be adjustable parameters in the DG and EP approaches respectively. Although self-consistent Poisson-Schrödinger simulations are more accurate in simulating 1D confinement effects there are conceptual problems associated with the inclusion of the stationary Schrödinger equation in multidimensional transport simulations. Figure 4 shows the quantum mechanical threshold voltage shift for DG and EP techniques as a function of substrate doping concentration compared with the results of Jallepalli et al; the inset shows the sensitivity of the threshold voltage shift to the effective mass used in the DG formalism (Asenov et al. 2001). The calibration was carried out for doping concentration N A = 5 × 1017 cm−3 . We find that an effective mass of 0.15 m0 in DG simulations and a standard deviation of 0.75 nm for the Gaussian used in the effective potential, gave the best results in terms of fitting to the threshold voltage shift. These single values of the effective mass and the standard deviation of the wavepacket are used for all other concentrations. Figure 5 shows typical carrier concentration profiles obtained from the 1-D simulations. All distributions show a peak in the concentration away from the Si/SiO2 interface, although the effective potential produces an unrealistically sharper drop-off of the electron concentration near the Si/SiO2 interface. 3.2. Figure 3. Effective conduction band potential after convolution with a gaussian wavepacket calculated for the triangular potential form by the gate potential at the Si/SiO2 interface. Here a0 , is 0.75 nm. corresponding classical potential is shown in Fig. 2. Figure 3 shows the effective potential calculated for the triangular potential formed by the gate potential at the Si/SiO2 interface. The effective potential can be related to the density gradient approach by using a Taylor series expansion of the effective potential (Ferry, Akis and Vasileska 2000). 3. 3.1. Simulation Results Calibration We have carefully calibrated both the EP and DG approaches against the results of comprehensive fullband 1D Poisson-Schrödinger simulations (Jallepalli 507 Simulation of MOSFETs with Continuous Doping In order to illustrate the importance of the quantum mechanical confinement effects in the next generation MOSFETs we have simulated a 30 nm × 30 nm n-MOSFET with simple but robust architecture which corresponds approximately to the 80 nm technology node expected to be in production in 2005. The device has uniform channel doping N A = 5 × 1018 cm−3 and oxide thickness tox = 1.3 nm. The effect of the quantum mechanical confinement at the Si/SiO2 interface can clearly be understood by examining and comparing the I D -VG characteristics of this device, simulated with and without quantum corrections, and depicted in Fig. 6. The interface confinement results in a threshold voltage shift, approximately 0.22 V, between the classical and the quantum simulations. The threshold voltage shift is mainly due to the energy difference between the conduction band edge and the ground electron state in the surface potential well, which increases 508 Asenov Figure 4. Threshold voltage shift due to quantum effects versus substrate doping. Results for Density Gradient and Effective Potential are compared to those obtained from Poisson-Schrödinger. Inset shows the sensitivity of the threshold voltage shift to the effective mass. Electron Concentration [cm-3] 10 -5 10 -6 10 -7 10 -8 ID [A] with the doping concentration. Both DG and EP capture this effect with a sufficient degree of accuracy using a single parameter for the whole range of doping concentrations from 1 × 1018 to 1 × 1019 cm−3 relevant to the present and future generations of MOSFETs. In Fig. 6 we have also shifted the I D -VG current curve obtained using DG quantum corrections by the quantum mechanical threshold voltage shift to 10 -9 10 -10 10 -11 10 -12 10 -13 Density Gradient shifted by ∆VT ∆ID ∆VT ∆S Classical Effective Potential Density Gradient -14 10 0.0 Jallepalli (Poisson-Schrödinger) Density Gradient Effective Potential 17 10 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 VG [V] Figure 6. I D -VG characteristic obtained from both classical and quantum simulators for a 30 nm × 30 nm n-MOSFET, with VD = 0.01 V and a substrate doping of 5×1018 cm−3 . The density gradient curve has also been shift by the QM threshold voltage shift, VT , in the dashed line, in order to highlight the decrease in current, I D , and the degradation of the sub-threshold slope, S. 16 10 15 10 0 0.1 1 2 3 4 5 6 7 8 Depth from interface [nm] Figure 5. Electron carrier concentration as a function of distance from the interface for substrate doping of 5 × 1017 cm−3 . All have the same net sheet density. illustrate other important impacts of the quantum confinement on the MOSFET operation. The displacement of the charge centroid from the interface in the quantum simulations results in an increase in the effective oxide thickness resulting in a reduction of the gate-tochannel capacitance which sustains the inversion layer Quantum Potentials in Semiconductor Devices charge Q i = Ceff (VG − VT ), (22) with further reduction of the gate oxide complimented with lo-hi channel doping will be required for proper device design. 3.3. Ceff CSiO2 CSiinv = < CSiO2 CSiO2 + CSiinv (23) where CSiO2 and CSiinv are the capacitances of the silicon dioxide and silicon inversion layer respectively. This in turn results in reduction of the drive current and transconductance (Taur and Ning 1998). The decrease in the effective oxide capacitance also leads to an increase in short-channel effects and a corresponding increase in the sub-threshold slope (Taur and Ning 1998): S= d(log10 I D ) d VG −1 = 2.3 kB T Cdm 1+ q Ceff (24) where Cdm represents the depletion layer capacitance, which does not change significantly moving from classical to quantum mechanical simulations. These two effects are depicted in Fig. 6 by I D and S respectively. We have also investigated the threshold voltage shift as a function of channel length in the continuous doping case as shown in Fig. 7. The threshold voltage rolloff remains acceptable to 30 nm channel length but the inclusion of quantum effects render the threshold voltage too high for this generation of devices and a 509 3-D Quantum Atomistic Simulations We have also compared the impact of the DG and EP quantum corrections on the threshold voltage fluctuations in decanano MOSFETS, due to discrete random dopants. Figure 8 shows a typical equi-concentration contour for a simulated atomistic MOSFET using the EP method. Simulating 200 atomistic devices, which gives an uncertainty of approximately 5% in σ VT (Asenov 1998), we have investigated the average threshold voltage (Fig. 9) and standard deviation (Fig. 10) at different channel lengths. The EP simulations result in similar average threshold voltages and standard deviations compared to DG. In this particular case we have found that the DG approach is computationally more efficient due to the numerically intensive nature of the 3-D convolution involved in calculating the effective potential using Eq. (21). However, it is difficult to make a definitive judgement on the efficiency of the two quantum correction algorithms, since the relative speed depends on the adopted integration approach and is also dimensionally dependent. A more efficient algorithm than the one used here, based on Gaussian Quadratures, may be used in some cases for 0.6 VT [V] 0.5 Classical Effective Potential Density Gradient 0.4 0.3 0.2 30 40 50 60 70 80 90 100 Leff [nm] Figure 7. Dependence of the threshold voltage on the channel length in MOSFETs with Weff = 50 nm, N A = 5 × 1018 cm−3 and tox = 1.3 nm, illustrating the quantum mechanical shift in threshold voltage. Figure 8. An equi-concentration contour for a individual 30 nm × 50 nm atomistic MOSFET at threshold obtained using our quantum effective potential simulator. Also shown are the individual dopant positions throughout the MOSFET structure. 510 Asenov Figure 9. Average threshold voltage for 50 nm wide atomistic MOSFETs with different channel lengths, 1.3 nm gate oxide and channel doping 5 × 1018 cm−3 . Comparison between classical, density gradient and effective potential simulations. Figure 10. σ VT for atomistic MOSFETs with different channel lengths (same parameters as in Fig. 9) Comparison between classical, DG and EP simulations. evaluating the effective potential (Ramey and Ferry 2002). Additionally, the time required for the solution of the density gradient equation of state (Eq. (10)) is bias dependent and increases from depletion to strong inversion. 3.4. simulators (Iafrate, Grubin and Ferry 1982, Tsuchiya, Winstead and Ravaioli 2001, Tsuchiya and Miyoshi 2000, Tsuchiya, Fischer and Hess 2000). In the case of a tunnelling barrier with voltage applied on the right hand side, the additional quantum term acts to raise the classical conduction band potential profile for carriers flowing from right to left of the barrier and lower the classical potential barrier for carriers flowing from left to right. However, there is controversy over whether the DG approach includes this effect and therefore is able to model source-to-drain tunnelling phenomena in extremely short MOSFETs. Although the DG formalism is unable to cope with cases where tunnelling is dependent on the coherent phase behaviour of electrons (as in the case of resonant tunnelling (Bowen et al. 1997)) we see no reasons why, in principle, it cannot, to a first order approximation, account for tunnelling in what may be termed the scattering-dominated limit (Ancona 2001). Here, we have performed a series of numerical experiments to see if the DG formalism can account for the impact of source-drain tunnelling on the subthreshold I D -VG characteristics of short double gate MOSFETs. In a double gate structure the current is essentially one-dimensional, making theoretical study and calibration easier than in a conventional MOSFET device structure. In search of a qualitative answer to this question we have simulated a set of double gate MOSFETs with a simple generic structure illustrated in Fig. 11. The subthreshold slope within the DG simulations (Fig. 12) degrades significantly as the channel length is decreased, while in classical simulations the subthreshold slope remains nearly constant with channel length. This degradation of the subthreshold slope in our DG simulations is consistent with quantum mechanical simulations performed by others (Lundstrom 2001) and provide an Source-to-Drain Tunnelling As commented on previously in Section 2.1, expanding the Wigner transport equation to first order in h results in an additional, non-classical, quantum term that has been shown to be sufficient to model nonequilibrium quantum transport and the inclusion of tunnelling phenomena in particle based Monte Carlo Figure 11. Schematic representation of the double-gate MOSFET structure considered within this work. Quantum Potentials in Semiconductor Devices Figure 12. I D -VG characteristics for a double gate structure, with gate lengths ranging from 30 nm down to 6 nm, obtained from our classical and density gradient simulations. VD = 0.01 V and VG is applied to both top and bottom gate contacts. indication that source-to-drain tunnelling is included, at least qualitatively, in the DG simulations. Further evidence that the DG approach includes qualitatively the source-drain tunnelling can be gained by investigating the temperature dependence of the subthreshold slope, given in the classical case by Eq. (24). The classical subthreshold slope depends linearly on temperature since the classical subthreshold current is essentially thermionic in nature, having an exponential dependence on temperature. However, any current due to tunnelling will have a much weaker temperature dependence (Kawaura, Sakamoto and Baba 2000, Kawaura et al. 2000). Figures 13 and 14, show the Figure 13. I D − VG characteristics for a 30 nm channel length double gate structure from classical and density gradient simulations for a range of temperatures. VD = 0.01 V and VG is applied to both top and bottom gate contacts. 511 Figure 14. I D -VG characteristics for an 8 nm channel length double gate structure from classical and density gradient simulations for a range of temperatures. VD = 0.01 V and VG is applied to both top and bottom gate contacts. temperature dependence of the subthreshold slope in both classical and DG simulations, for channel lengths of 30 nm and 8 nm respectively. We observe that the temperature dependence of the subthreshold slope is similar for both the classical and DG simulations in the 30 nm gate length device, in agreement with Eq. (24). The shift in the corresponding I D -VG curve is due to the QM threshold voltage shift caused by confinement quantisation in the thin silicon body. However, for the 8 nm gate length device even at room temperature there is a noticeable degradation of the subthreshold slope in the DG simulations as compared with the classical simulations. This is consistent with the expected contribution of source-to-drain tunnelling in the subthreshold region at this channel length in addition to the classical over-barrier (thermionic) current. Such conclusion is further supported by the observation that in the DG simulations the subthreshold slope is nearly independent of temperature bearing in mind that the tunnelling current, as discussed above, is less sensitive to temperature than a thermionic emission current. All the results presented so far have assumed a single effective mass in both vertical and lateral directions. However, the lateral effective mass would be used to calibrated the DG approach in respect of source-drain tunnelling in the same way as the vertical effective mass was used to calibrate it in respect of vertical confinement. We have made a first attempt to calibrate the lateral effective mass in respect of comprehensive NonEquilibrium Green’s Function (NEGF) simulations of a double gate MOSFET, performed by A. Svizhenko 512 Asenov Figure 15. I D -VG characteristics obtained from NEGF simulations, with calibrated density gradient for the double gate structure, with gate lengths of 20 nm and 4 nm. VD = 1 V and VG is applied to both top and bottom gate contacts. The inset provides a schematic illustration of the simulated double-gate MOSFET structure. and M. P. Anantram at NASA Ames Research Center. In these simulations a more realistic double-gate structure is used (Ren et al. 2001), shown schematically in the inset of Fig. 15. The results of the calibration are illustrated in Fig. 15 starting with a 20 nm transistor hardly affected by the source-to-drain tunnelling and ending up with a 4 nm one which, although functional, has a considerable tunnelling current component. We have found a good agreement between the DG and the NEGF simulations for a single lateral effective mass over a wide range of channel lengths and biases with more details to be reported in a forthcoming paper. 4. The Density Gradient approach has been used in the simulation of double gate MOSFETs with channel lengths ranging from 30 nm to 6 nm to investigate whether the density gradient approach can model source-drain tunnelling in respect of the subthreshold current characteristics in decanano scale MOSFETs. We observe that as the channel length is reduced, there is a corresponding increase in the subthreshold slope. The temperature dependence of the subthreshold slope has also been studied. It is observed that the temperature dependence of the 30 nm MOSFET is in agreement with classical MOSFET theory, however, the subthreshold slope for the 8 nm device is nearly independent of temperature, presumably due to the larger source-drain tunnelling in the smaller device, which is less temperature sensitive than the classical thermionically dominated subthreshold current. We have been able to calibrate the lateral effective mass in DG simulations in respect of NEGF results. Acknowledgments We gratefully acknowledge the helpful discussions with Dr. Mario Ancona. Many thanks are also due to Dr. Alexi Svizhenko and Dr. Anant Anantram of NASA Ames Research Center for performing the Nonequilibrium Green’s Function simulation of the double gate MOSFET. JRW would like to acknowledge the support of EPSRC under grant no GR/L53755. SHEFC Research Development Grant VIDEOS provided support for ARB. This work was also supported by IBM through a Shared University Research Grant. Conclusions The DG and EP methods provide efficient means for incorporating quantum corrections in multi dimensional device simulations and in CAD simulation tools. Both methods agree well with the available data from Poisson-Schrödinger simulations, although there is a better agreement between Density Gradient and Poisson-Schrödinger calculations in respect of carrier densities. This, however, has little discernable effect on threshold voltage and I D -VG current characteristics. We have implemented these quantum potential techniques in large scale 3D statistical ‘atomistic’ simulations where they produce very similar results for the average threshold voltage, threshold voltage lowering and standard deviation in the threshold voltage for nano-scale MOSFETs. Note 1. 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