Novel Materials and Devices

Novel Materials

NM01–Machine Learning & multiscale simulations: toward fast screening of organic semiconductor materials

Rinderle M., Gagliardi A.

Organic semiconductor devices promise cost-efficient processability at low temperatures, but the usually amorphous materials suffer from low charge carrier mobility. The search for high mobility organic semiconductor materials has thrived data science and Machine Learning approaches to screen the vast amount of possible organic materials. We present a multiscale simulation model based on machine learned […]

NM03–Tight binding simulations of tetragonal MAPbI3 domains within orthorhombic phase

Di Vito A., Pecchia A., Auf der Maur M., Di Carlo A.

Very recent photoluminescence studies, investigating the tetragonal-to-orthorhombic phase transition of MAPbI3, demonstrated the presence of residual tetragonal phase far below the transition temperature, yielding spectral signatures from quantum confined tetragonal domains. We present a theoretical model of the coexistence of tetragonal and orthorhombic MAPbI3, based on tight binding simulations. The tight binding parameters are derived […]

NM04–Strain-balanced GaAs(1-x)Bi(x)/GaN(y)As(1-y) W-type quantum wells for GaAs-based 1.3-1.6µm lasers

Davidson Z. C. M., Rorison J. M., Sweeney S. J., Broderick C. A.

Highly-mismatched alloys constitute a promising approach to extend the operational range of GaAs-based quantum well (QW) lasers to telecom wavelengths. This is challenging using type-I QWs due to the difficulty to incorporate sufficient N or Bi via epitaxial growth. To overcome this, we investigate a novel class of strain-compensated type-II QWs combining electron-confining, tensile strained […]

NM05–Modelling of mixed-phase MAPbI3

Nonni E., Rossi D., Auf der Maur M., Di Carlo A.

Both x-ray diffraction (XRD) and photoluminescence (PL) characterizations of methylammonium lead iodide perovskite (MAPbI3) reveal signatures of a coexistence of the tetragonal and orthorhombic phases over a wide range of temperatures, suggesting that the phase transition does not happen sharply at a temperature of 164 K as reported in literature. To understand the causes of […]

NM06–Simulation aided design of a human wrist rotation recognition system combining IMU sensor data with Visible Light Communication

Zahiri-Rad S., Weiss A. P., Wenzl F. P., Leitgeb E.

Wrist worn mobile sensors have proven to be applicable for various applications, including fitness tracking or gesture recognition. In time- and security-critical application scenarios, the commonly used Radio frequency based communication technologies may pose a bottleneck for further advancements. In this work, we present a simulation environment implemented in Matlab/Simulink that enables the precise simulation […]

NM07–Design and Analysis of Slow Light Device based on Double Quantum Dots Tunneling Induced Transparency

Mardani H., Kaatuzian H., Choupanzadeh B.

Slow light Transparency window can be achieved with the help of Electromagnetically Induced Transparency (EIT) method and Tunneling Induced Transparency (TIT) method accompanied by observing tunneling effect between InAs quantum dot structure with energy gap of 0.35 eV and a thin layer of GaAs potential barrier with energy gap of 1.42 eV. By investigating different […]