Virtual-crystal approximation and alloy broadening of intersubband transitions in<i>p</i>-type SiGe superlattices

Ikonić, Z.; Kelsall, R. W.; Harrison, P.

doi:10.1103/physrevb.64.125308

Cited by 18 publications

(12 citation statements)

References 19 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…While the volume expansion of the SiGe can be correctly predicted by VCA [53], [54], this approximation does not account for the internal distortions or the modifications of the atomic coordination induced by the Ge inclusion. Fig.…”

Section: A System Generation and Structural Analysismentioning

confidence: 99%

High-Throughput Investigation of the Electron Transport Properties in Si₁-ₓGeₓAlloys

et al. 2021

View full text Add to dashboard Cite

Si 1−x Ge x alloys are among the most used materials for power electronics and quantum technology. In most engineering models the parameters used to simulate the material and its electronic transport properties are derived from experimental results using simple semiempirical approaches. In this paper, we present a high-throughput study of the electron transport properties in Si 1−x Ge x alloys, based on the combination of atomistic first principles calculations and statistical analysis. Our results clarify the effects of the Ge concentration and of disorder on the properties of the Si 1−x Ge x alloy. We discuss the results in comparison with existing semiempirical methods and we provide a Ge-dependent set of transport parameters that can be used in device modeling.

show abstract

Section: A System Generation and Structural Analysismentioning

confidence: 99%

High-Throughput Investigation of the Electron Transport Properties in Si₁-ₓGeₓAlloys

et al. 2021

View full text Add to dashboard Cite

show abstract

“…The VCA has been applied in studies of bulk properties of metal and semiconductor − alloys. As the work function is a long-range electronic property, it is described well within the VCA .…”

Section: Theorymentioning

confidence: 99%

DFT Study of Atomically-Modified Alkali-Earth Metal Oxide Films on Tungsten

et al. 2014

View full text Add to dashboard Cite

The work function and stability of 570 alloyed alkali-earth oxide films on W(100) have been calculated within density functional theory. Computational screening of this large phase space was enabled by utilizing the virtual crystal approximation, where the degree of freedom in the chemical composition is modeled with virtual atoms of mixed Ca, Sr, and Ba character. Low work functions are achieved by doping the films with Sc or Li and alloys containing small amounts of Ca. In particular, Li-doped systems with small Ca content also show favorable stability. Identification of such alloys outperforming any of the constituents relies on careful sampling of the chemical composition. We have identified the interactions within the film that limit the reduction in work function given by the dipole normal to the surface. We have shown that control of the screening of the intrafilm interactions by O atoms is essential for the design of new low work function materials.

show abstract

“…The numerical complexity of such calculations forced drastic analytical approximations and the first six band self-consistent subband structure calculations were performed by Bangert et al [36,37], Landwehr [38] and Ohkawa and Uemura [39,40]. Most of the theoretical studies that have been conducted have mostly focused on evaluating the low field mobility of holes in Si inversion layers, the enhancement thereof in strained Si by Nakatsuji [35] Oberhuber and Vogl [41], Fischetti et al [42] or modeling hole transport in Si/SiGe/Si quantum wells [43].…”

Section: Introductionmentioning

confidence: 99%

Modeling of SiGe Devices Using a Self-Consistent Full-Band Device Simulator Which Properly Takes into Account Quantum-Mechanical Size Quantization and Mobility Enhancement

Vasileska¹,

Krishnan

Fischetti³

2006

ECS Trans.

View full text Add to dashboard Cite

We examine performance enhancement of p-channel SiGe devices using our recently developed particle-based device simulator that takes into account self-consistently the bandstructure and the quantum mechanical space-quantization and mobility enhancement (due to the smaller 2D density of states function) effects. We find surface roughness to be the dominant factor for the bad performance of p-channel SiGe devices when compared to conventional bulk pMOSFETs at high bias conditions. At low and moderate bias conditions, when surface-roughness does not dominate the carrier transport, we observe performance enhancement in the operation of p-channel SiGe MOSFETs versus their conventional counterparts.

show abstract

Virtual-crystal approximation and alloy broadening of intersubband transitions inp-type SiGe superlattices

Cited by 18 publications

References 19 publications

High-Throughput Investigation of the Electron Transport Properties in Si₁-ₓGeₓAlloys

High-Throughput Investigation of the Electron Transport Properties in Si₁-ₓGeₓAlloys

DFT Study of Atomically-Modified Alkali-Earth Metal Oxide Films on Tungsten

Modeling of SiGe Devices Using a Self-Consistent Full-Band Device Simulator Which Properly Takes into Account Quantum-Mechanical Size Quantization and Mobility Enhancement

Contact Info

Product

Resources

About