[HTML][HTML] Modeling charge transport in high-mobility molecular semiconductors: Balancing electronic structure and quantum dynamics methods with the help of …

T Nematiaram, A Troisi - The Journal of chemical physics, 2020 - pubs.aip.org
Computing the charge mobility of molecular semiconductors requires a balanced set of
approximations covering both the electronic structure of the Hamiltonian parameters and the …

Band-Order Anomaly at the γ-Al2O3/SrTiO3 Interface Drives the Electron-Mobility Boost

A Chikina, DV Christensen, V Borisov, MA Husanu… - ACS …, 2021 - ACS Publications
The rich functionalities of transition-metal oxides and their interfaces bear an enormous
technological potential. Its realization in practical devices requires, however, a significant …

First-principles quantum Monte Carlo study of charge-carrier mobility in organic molecular semiconductors

J Ostmeyer, T Nematiaram, A Troisi, P Buividovich - Physical Review Applied, 2024 - APS
We present a first-principles numerical study of charge transport in a realistic two-
dimensional tight-binding model of organic molecular semiconductors. We use the hybrid …

Giant electron–phonon coupling of the breathing plane oxygen phonons in the dynamic stripe phase of

AM Merritt, AD Christianson, A Banerjee, GD Gu… - Scientific Reports, 2020 - nature.com
Doped antiferromagnets host a vast array of physical properties and learning how to control
them is one of the biggest challenges of condensed matter physics. La 1.67 Sr 0.33 NiO 4 …

[HTML][HTML] Giant electron–phonon coupling of the breathing plane oxygen phonons in the dynamic stripe phase of [... formula...]

AM Merritt, AD Christianson, A Banerjee, GD Gu… - Scientific …, 2020 - ncbi.nlm.nih.gov
Doped antiferromagnets host a vast array of physical properties and learning how to control
them is one of the biggest challenges of condensed matter physics. La 1.67 Sr 0.33 NiO 4 …