1.8k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of Colorado BoulderUS112 papers
- Colorado School of MinesUS59 papers
- King's College LondonGB30 papers
- Lawrence Berkeley National LaboratoryUS28 papers
- Fudan UniversityCN17 papers
- Radboud University NijmegenNL15 papers
- Stanford UniversityUS15 papers
- University of MinnesotaUS15 papers
- University of California, BerkeleyUS14 papers
- Colorado State UniversityUS13 papers
- North Carolina State UniversityUS12 papers
- Princeton UniversityUS12 papers
11 papers · 2 filters
Investigating the Electronic Structure of Prospective Water-splitting Oxide BaCeMnO Before and After Thermal Reduction
Subhayan Roychoudhury, Sarah Shulda, Anuj Goyal +8
BaCeMnO (BCM), a non-stoichiometric oxide closely resembling a perovskite crystal structure, has recently emerged as a prospective contender for applicati…
Direct link between disorder, mobility and magnetoresistance in topological semimetals
Jocienne N. Nelson, Anthony D. Rice, Chase Brooks +7
The extent to which disorder influences the properties of topological semimetals remains an open question and is relevant to both the understanding of topological states and the us…
Composition dependent electrochemical properties of earth-abundant ternary nitride anodes
M Brooks Tellekamp, Anna Osella, Karen N Heinselman +2
Growing energy storage demands on lithium-ion batteries necessitate exploration of new electrochemical materials as next-generation battery electrode materials. In this work, we in…
Combinatorial synthesis of cation-disordered manganese tin nitride MnSnN thin films with magnetic and semiconducting properties
Christopher L. Rom, Rebecca W. Smaha, Celeste L. Melamed +11
Magnetic semiconductors may soon improve the energy efficiency of computers, but materials exhibiting these dual properties remain underexplored. Here, we report the computational…
A Landau-Devonshire Analysis of Strain Effects on Ferroelectric Al1-xScxN
Keisuke Yazawa, Andriy Zakutayev, Geoff L. Brennecka
We present a thermodynamic analysis of the recently discovered nitride ferroelectric materials using the classic Landau-Devonshire approach. The electrostrictive and dielectric sti…
Ternary Wide Band Gap Oxides for High-Power Electronics Identified Computationally
Emily McDonald Garrity, Cheng-Wei Lee, Prashun Gorai +3
As electricity grids become more renewable energy-compliant, there will be a need for novel semiconductors that can withstand high power, high voltage, and high temperatures. Wide…
Sensitivity of the MnTe valence band to orientation of magnetic moments
Paulo E. Faria Junior, Koen A. de Mare, Klaus Zollner +3
An effective model of the hexagonal (NiAs-structure) manganese telluride valence band in the vicinity of the A-point of the Brillouin zone is derived. It is shown that while for th…
Real space representation of the quasiparticle self-consistent self-energy and its application to defect calculations
Ozan Dernek, Dmitry Skachkov, Walter R. L. Lambrecht +1
The quasiparticle self-consistent QS approach incorporates the corrections of the quasiparticle energies from their Kohn-Sham density functional theory (DFT) eigenvalues by mea…
Electronic and optical properties of crystalline nitrogen versus black phosphorus: A comparative first-principles study
Alexander N. Rudenko, Swagata Acharya, Ferenc Tasnádi +5
Crystalline black nitrogen (BN) is an allotrope of nitrogen with the black phosphorus (BP) structure recently synthesized at high pressure by two independent research groups [Ji et…
Understanding the Effect of Lead Iodide Excess on the Performance of Methylammonium Lead Iodide Perovskite Solar Cells
Zeeshan Ahmad, Rebecca A. Scheidt, Matthew P. Hautzinger +3
The presence of unreacted lead iodide in organic-inorganic lead halide perovskite solar cells is widely correlated with an increase in power conversion efficiency. We investigate t…
Cellulose-Based Reflective Liquid Crystal Films as Optical Filters and Solar Gain Regulators
Joshua A. De La Cruz, Qingkun Liu, Bohdan Senyuk +3
Many promising approaches for designing interactions of synthetic materials with light involve solid optical monocrystals and nanofabricated photonic crystal structures with spatia…