AlxGa1−xAs crystals with direct 2 eV band gaps from computational alchemy
Published 2018 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
AlxGa1−xAs
crystals with direct 2 eV band gaps from computational alchemy
Authors
Keywords
-
Journal
PHYSICAL REVIEW MATERIALS
Volume 2, Issue 7, Pages -
Publisher
American Physical Society (APS)
Online
2018-07-23
DOI
10.1103/physrevmaterials.2.073802
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Interpolating Hamiltonians in chemical compound space
- (2017) Ramón Alain Miranda-Quintana et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivatives
- (2017) Yasmine S. Al-Hamdani et al. JOURNAL OF CHEMICAL PHYSICS
- Alchemical Predictions for Computational Catalysis: Potential and Limitations
- (2017) Karthikeyan Saravanan et al. Journal of Physical Chemistry Letters
- Molecular Property Optimizations with Boundary Conditions through the Best First Search Scheme
- (2016) Freija De Vleeschouwer et al. CHEMPHYSCHEM
- Fast and accurate predictions of covalent bonds in chemical space
- (2016) K. Y. Samuel Chang et al. JOURNAL OF CHEMICAL PHYSICS
- Alchemical screening of ionic crystals
- (2016) Alisa Solovyeva et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Machine Learning Energies of 2 Million Elpasolite(ABC2D6)Crystals
- (2016) Felix A. Faber et al. PHYSICAL REVIEW LETTERS
- Crystal structure representations for machine learning models of formation energies
- (2015) Felix Faber et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Materials Design On-the-Fly
- (2015) Tiago F. T. Cerqueira et al. Journal of Chemical Theory and Computation
- SnSi nanocrystals of zinc-blende structure in a Si matrix
- (2015) Alexander Tonkikh et al. Nano Research
- Conceptual DFT: chemistry from the linear response function
- (2014) Paul Geerlings et al. CHEMICAL SOCIETY REVIEWS
- Inverse quantum chemistry: Concepts and strategies for rational compound design
- (2014) Thomas Weymuth et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Unfolding the band structure of disordered solids: From bound states to high-mobility Kane fermions
- (2014) O. Rubel et al. PHYSICAL REVIEW B
- Lattice constant and substitutional composition of GeSn alloys grown by molecular beam epitaxy
- (2013) Nupur Bhargava et al. APPLIED PHYSICS LETTERS
- First principles view on chemical compound space: Gaining rigorous atomistic control of molecular properties
- (2013) O. Anatole von Lilienfeld INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Exploring Chemical Space with the Alchemical Derivatives
- (2013) Robert Balawender et al. Journal of Chemical Theory and Computation
- Low-Energy Polymeric Phases of Alanates
- (2013) Tran Doan Huan et al. PHYSICAL REVIEW LETTERS
- Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
- (2012) Matthias Rupp et al. PHYSICAL REVIEW LETTERS
- Transition metal oxide alloys as potential solar energy conversion materials
- (2012) Maytal Caspary Toroker et al. Journal of Materials Chemistry A
- Engineering the Electronic Band Structure for Multiband Solar Cells
- (2011) N. López et al. PHYSICAL REVIEW LETTERS
- Accurate ab initio predictions of III–V direct-indirect band gap crossovers
- (2010) Jeremy W. Nicklas et al. APPLIED PHYSICS LETTERS
- Effective Band Structure of Random Alloys
- (2010) Voicu Popescu et al. PHYSICAL REVIEW LETTERS
- ABINIT: First-principles approach to material and nanosystem properties
- (2009) X. Gonze et al. COMPUTER PHYSICS COMMUNICATIONS
- Accurate ab initio energy gradients in chemical compound space
- (2009) O. Anatole von Lilienfeld JOURNAL OF CHEMICAL PHYSICS
- Structure and band gaps of Ga-(V) semiconductors: The challenge of Ga pseudopotentials
- (2008) O. Anatole von Lilienfeld et al. PHYSICAL REVIEW B
- Identifying the minimum-energy atomic configuration on a lattice: Lamarckian twist on Darwinian evolution
- (2008) Mayeul d’Avezac et al. PHYSICAL REVIEW B
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search