463 citations · 2.3k across the 58 of their papers we have counts for
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Charge Carrier Transport in Iron Pyrite Thin Films: Disorder Induced Variable Range Hopping
Sudhanshu Shukla, Sinu Mathew, Hwan Sung Choe +8
The origin of p-type conductivity and the mechanism responsible for low carrier mobility was investigated in pyrite (FeS2) thin films. Temperature dependent resistivity measurement…
Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms
Robert Schade, Tobias Kenter, Hossam Elgabarty +8
We push the boundaries of electronic structure-based \textit{ab-initio} molecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise barely reachable with classical…
Mixed-valence compounds as polarizing agents for Overhauser dynamic nuclear polarization in solids
Andrei Gurinov, Benedikt Sieland, Andrei Kuzhelev +7
In this paper we investigate a novel set of polarizing agents -- mixed-valence compounds -- by theoretical and experimental methods and demonstrate their performance in high-field…