Searcharxiv⌕ Search
Home/Archive/arXiv

arXiv · 2111.13358

Simulation of the band structure of InAs/GaSb type II superlattices utilizing multiple energy band theories

Shuiliu Fang·Ruiting Hao·Longgang Zhang·Jie Guo·Wuming Liu
View original source ↗Read source document ↗Export metadata ↓

Abstract

Antimonide type II superlattices is expected to overtake HgCdTe as the preferred materials for infrared detection due to their excellent photoelectric properties and flexible and adjustable band structures. Among these compounds, InAs/GaSb type II superlattices represents the most commonly studied materials. However, the sophisticated physics associated with the antimonide-based bandgap engineering concept started at the beginning of 1990s gave a new impact and interest in development of infrared detector structures within academic and national laboratories. InAs/GaSb superlattices is a type II disconnected band structure with electrons and holes confined in the InAs and GaSb layers, respectively. The electron micro-band and hole micro-band can be regulated separately by adjusting the InAs and GaSb layers, which facilitates the design of superlattice structures and maximizes the amount of energy band offset. These works constituted a theoretical basis for the effective utilization of the InAs/GaSb system in material optimization and designing new SL structures; they also provided an opportunity for the preparation and rapid development of InAs/GaSb T2SLs. In this paper, we systematically review several widely used methods for simulating superlattice band structures, including the kp perturbation method, envelope function approximation, empirical pseudopotential method, empirical tight-binding method, and first-principles calculations. With the limitations of different theoretical methods proposed, the simulation methods have been modified and developed to obtain reliable InAs/GaSb SL energy band calculation results. The objective of this work is to provide a reference for designing InAs/GaSb type II superlattice band structures.

Explore related subjects

cond-mat.mtrl-sci

Keep this discovery

BibTeXRIS

Shuiliu Fang, Ruiting Hao, Longgang Zhang, Jie Guo, Wuming Liu. 2021-11-26. Simulation of the band structure of InAs/GaSb type II superlattices utilizing multiple energy band theories. https://arxiv.org/abs/2111.13358

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Measuring chiral phonons

Chiral phonons are quantized vibrations where the atomic motion in a solid breaks improper rotation symmetries. In many cases, chiral phonons possess angular momenta and are therefore selective to circularly polarized light. Both fundamental and applied research efforts on chiral phonons have been gaining increasing attention owing to their importance in a variety of fields including spintronics, spin-selective chemical reactions, thermal transport, quantum information processing and biosensing, where the bi-directional spin-lattice coupling enabled by chiral phonons can be harnessed in new ways, and potentially lead to new functionalities. Thus far, the studies of chiral phonons across diverse materials platforms have evolved largely independently within these fields, but the experimental techniques are often interrelated. In this perspective, we present a detailed description, as well as advantages and disadvantages of the current approaches for experimentally measuring chiral phonons in chiral and achiral materials. We conclude with a discussion of new methods for measuring chiral phonons. Ultimately, this work seeks to offer an experimental guide for systematically investigating the properties of chiral phonons in various materials systems and applications.

cond-mat.mtrl-sci↗
arXiv2026

A model of grain growth in UN integrating molecular dynamics, phase-field modeling, and uncertainty quantification

Grain growth kinetics and grain-boundary (GB) properties in uranium mononitride (UN) are investigated through an integrated multiscale framework combining molecular dynamics (MD), phase-field modeling, and surrogate-assisted uncertainty quantification. MD simulations yield GB energies for 27 symmetric tilt boundaries from 0--2000~K, which are consistent with available DFT values. The average GB energy is nearly temperature-independent below 1000~K and increases at higher temperatures. A mechanistic pore-drag model applied to the only available grain growth dataset for actinide nitrides yields a mobility reduction factor of $s \approx 0.93$--$0.99$, statistically indistinguishable from unity, confirming that pore drag is negligible under the experimental conditions. The intrinsic GB mobility is therefore extracted directly from the effective mobility, yielding $M_0 = 2.05\times10^{-15}$~m$^4$/(J$\cdot$s) and $Q_M = 0.89$~eV. Phase-field simulations conducted from 1500--2000~K confirm normal curvature-driven grain growth, with grain size distributions converging to the Hillert-like form. A surrogate-assisted global sensitivity analysis---combining principal component analysis, Gaussian process regression, and Sobol decomposition---reveals that the mobility prefactor $M_0$ dominates output variance at all times, followed by the activation energy $Q_M$, while the GB energy $\gamma$ contributes minimally. These results establish the first quantitative grain growth framework for UN and identify the reduction of uncertainty in $M_0$ and $Q_M$ as the highest-priority target for future experimental efforts.

cond-mat.mtrl-sci↗
arXiv2026

Silicon Solar Cell Design for >30% Efficiency via Singlet Fission

Singlet fission (SF) materials convert high-energy photons into multiple charge carriers, providing a route to exceed the efficiency limits of single-junction silicon solar cells without many of the complexities of multi-junction tandem designs. Following the first demonstration of an SF-enhanced silicon solar cell in 2025, there is a need to understand how SF materials can be effectively integrated into high-efficiency industrial silicon devices and translated from proof of concept to a manufacturable technology. Using coupled optical and electrical simulations, we assess the efficiency potential of several industrially relevant silicon cell architectures combined with SF materials. Interdigitated back-contact (IBC) cells offer the greatest potential for improvement due to unrestricted front-surface access and can achieve efficiencies exceeding 33%. However, performance is highly sensitive to front-surface passivation quality. Appropriate silicon design, particularly controlled surface doping and fixed interfacial charge, can mitigate recombination losses and relax passivation requirements for ultra-thin exciton-transfer layers.

cond-mat.mtrl-sci↗