652 citations · 1.1k across the 15 of their papers we have counts for
15 papers
Dynamic Screening Effects on Auger Recombination in Metal-Halide Perovskites
Utkarsh Singh, Sergei I. Simak
The performance of modern light-emitting technologies, from lasers to LEDs, is limited by nonradiative losses, with Auger recombination being the dominant channel at device-relevan…
Halogen Chains with One-Dimensional Semi-Metallic Electronic Structure and Peierls Physics in Polymorphs of Na4X5 (X = I, Br, Cl) Compounds
Yuqing Yin, Nityasagar Jena, Florian Knoop +16
Since the pioneering works of Peierls, one-dimensional materials have attracted great attention. Still, the synthesis of truly monoatomic chains remains elusive. In this study, we…
Machine Learning for Improved Density Functional Theory Thermodynamics
Sergei I. Simak, Erna K. Delczeg-Czirjak, Olle Eriksson
The predictive accuracy of density functional theory (DFT) for alloy formation enthalpies is often limited by intrinsic energy resolution errors, particularly in ternary phase stab…
Giant magnetocaloric effect in the (Mn,Fe)NiSi-system
Sagar Ghorai, Rafael Martinho Vieira, Vitalii Shtender +7
The search for energy-efficient and environmentally friendly cooling technologies is a key driver for the development of magnetic refrigeration based on the magnetocaloric effect (…
Exploring Magnetism of Lead-free Halide Double Perovskites: A High-Throughput First-Principles Study
Utkarsh Singh, Johan Klarbring, Igor A. Abrikosov +1
We have performed a comprehensive, first-principles high-throughput study of the magnetic properties of halide double perovskites, , with magnetic ions occupyin…
Electronic structure of the magnetic halide double perovskites Cs2(Ag,Na)FeCl6 from first-principles
Johan Klarbring, Utkarsh Singh, Sergei I. Simak +1
A family of magnetic halide double perovskites (HDPs) have recently attracted attention due to their potential to broaden application areas of halide double perovskites into e.g. s…