42 citations · 42 across the 2 of their papers we have counts for
7 papers
Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene
Florian Brown-Altvater, Gabriel Antonius, Tonatiuh Rangel +5
Organic molecular crystals are expected to feature appreciable electron-phonon interactions that influence their electronic properties at zero and finite temperature. In this work,…
Towards predictive band gaps for halide perovskites: Lessons from one-shot and eigenvalue self-consistent GW
Linn Leppert, Tonatiuh Rangel, Jeffrey B. Neaton
Halide perovskites constitute a chemically-diverse class of crystals with great promise as photovoltaic absorber materials, featuring band gaps between about 1 and 3.5 eV depending…
Injection current in ferroelectric group-IV monochalcogenide monolayers
Suman Raj Panday, Salvador Barraza-Lopez, Tonatiuh Rangel +1
We study the injection current response tensor (also known as circular photogalvanic effect or ballistic current) in ferrolectric monolayer GeS, GeSe, SnS, and SnSe. We find that t…
Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes
Tonatiuh Rangel, Samia M. Hamed, Fabien Bruneval +1
Charged excitations of the oligoacene family of molecules, relevant for astrophysics and technological applications, are widely studied and therefore provide an excellent system fo…
Effects of quantum confinement on excited state properties of SrTiO from ab initio many-body perturbation theory
Sebastian E. Reyes-Lillo, Tonatiuh Rangel, Fabien Bruneval +1
The Ruddlesden-Popper (RP) homologous series SrTiO provides a useful template for the study and control of the effects of dimensionality and quantum confinem…
Structural and excited-state properties of oligoacene crystals from first principles
Tonatiuh Rangel, Kristian Berland, Sahar Sharifzadeh +5
Molecular crystals are a prototypical class of van der Waals (vdW) bound organic materials with excited state properties relevant for optoelectronics applications. Predicting the s…