Semiconducting and optical properties of selected binary compounds by linear response DFT+U and hybrid functional methods
出版年份 2016 全文链接
标题
Semiconducting and optical properties of selected binary compounds by linear response DFT+U and hybrid functional methods
作者
关键词
Copper phosphide, Cadmium selenide, Semiconductors , DFT+U, Hybrid functionals, Band gap
出版物
THEORETICAL CHEMISTRY ACCOUNTS
Volume 135, Issue 3, Pages -
出版商
Springer Nature
发表日期
2016-03-01
DOI
10.1007/s00214-016-1833-9
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- Prospects of Nanoscience with Nanocrystals
- (2015) Maksym V. Kovalenko et al. ACS Nano
- Cu3-xP Nanocrystals as a Material Platform for Near-Infrared Plasmonics and Cation Exchange Reactions
- (2015) Luca De Trizio et al. CHEMISTRY OF MATERIALS
- Electronic Structure and Magnetic Properties of CuFeS2
- (2015) Sergio Conejeros et al. INORGANIC CHEMISTRY
- Prediction Uncertainty of Density Functional Approximations for Properties of Crystals with Cubic Symmetry
- (2015) Pascal Pernot et al. JOURNAL OF PHYSICAL CHEMISTRY A
- CRYSTAL14: A program for theab initioinvestigation of crystalline solids
- (2014) Roberto Dovesi et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Investigation of the bulk and surface properties of CdSe: insights from theory
- (2014) Alexandra Szemjonov et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Band alignment of semiconductors from density-functional theory and many-body perturbation theory
- (2014) Yoyo Hinuma et al. PHYSICAL REVIEW B
- Semiconducting and Plasmonic Copper Phosphide Platelets
- (2013) Goutam Manna et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Erratum: Origin of the Variation of Exciton Binding Energy in Semiconductors [Phys. Rev. Lett.110, 016402 (2013)]
- (2013) Marc Dvorak et al. PHYSICAL REVIEW LETTERS
- Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculations
- (2012) Michael F. Peintinger et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Accurate Band Gaps for Semiconductors from Density Functional Theory
- (2011) Hai Xiao et al. Journal of Physical Chemistry Letters
- Density-based mixing parameter for hybrid functionals
- (2011) Miguel A. L. Marques et al. PHYSICAL REVIEW B
- Global Hybrid Functionals: A Look at the Engine under the Hood
- (2010) Gábor I. Csonka et al. Journal of Chemical Theory and Computation
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Assessing the performance of recent density functionals for bulk solids
- (2009) Gábor I. Csonka et al. PHYSICAL REVIEW B
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started