Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides
出版年份 2014 全文链接
标题
Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 90, Issue 15, Pages -
出版商
American Physical Society (APS)
发表日期
2014-10-07
DOI
10.1103/physrevb.90.155106
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。- Crystal electron binding energy and surface work function control of tin dioxide
- (2014) Keith T. Butler et al. PHYSICAL REVIEW B
- Prediction of Electron Energies in Metal Oxides
- (2013) Aron Walsh et al. ACCOUNTS OF CHEMICAL RESEARCH
- Band alignment in SnS thin-film solar cells: Possible origin of the low conversion efficiency
- (2013) Lee A. Burton et al. APPLIED PHYSICS LETTERS
- Band alignment of rutile and anatase TiO2
- (2013) David O. Scanlon et al. NATURE MATERIALS
- The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies
- (2013) E. J. Baerends et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Concentration of Vacancies at Metal-Oxide Surfaces: Case Study of MgO(100)
- (2013) Norina A. Richter et al. PHYSICAL REVIEW LETTERS
- Ultra-thin oxide films for band engineering: design principles and numerical experiments
- (2013) Keith T. Butler et al. THIN SOLID FILMS
- Importance of the correct Fermi energy on the calculation of defect formation energies in semiconductors
- (2012) D. West et al. APPLIED PHYSICS LETTERS
- Transparent high-surface-work-function Al-doped CdO electrodes obtained by rf magnetron sputtering with oxygen flow
- (2012) Wei-Min Cho et al. APPLIED SURFACE SCIENCE
- Band Bending in Semiconductors: Chemical and Physical Consequences at Surfaces and Interfaces
- (2012) Zhen Zhang et al. CHEMICAL REVIEWS
- Band discontinuities at Si-TCO interfaces from quasiparticle calculations: Comparison of two alignment approaches
- (2012) B. Höffling et al. PHYSICAL REVIEW B
- First-Principles Optical Spectra forFCenters in MgO
- (2012) Patrick Rinke et al. PHYSICAL REVIEW LETTERS
- Systematic Study ofAu6toAu12Gold Clusters on MgO(100)FCenters Using Density-Functional Theory
- (2012) Lasse B. Vilhelmsen et al. PHYSICAL REVIEW LETTERS
- Branch-point energies and the band-structure lineup at Schottky contacts and heterostrucures
- (2011) Winfried Mönch JOURNAL OF APPLIED PHYSICS
- First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes
- (2011) Maytal Caspary Toroker et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Work function shifts, Schottky barrier height, and ionization potential determination of thin MgO films on Ag(001)
- (2010) T. Jaouen et al. APPLIED PHYSICS LETTERS
- Band lineup between silicon and transparent conducting oxides
- (2010) B. Höffling et al. APPLIED PHYSICS LETTERS
- Fermi level stabilization energy in cadmium oxide
- (2010) D. T. Speaks et al. JOURNAL OF APPLIED PHYSICS
- Structure, stability and work functions of the low index surfaces of pure indium oxide and Sn-doped indium oxide (ITO) from density functional theory
- (2010) Aron Walsh et al. JOURNAL OF MATERIALS CHEMISTRY
- Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors
- (2009) Yong-Hua Li et al. APPLIED PHYSICS LETTERS
- Hybrid functionals applied to extended systems
- (2008) M Marsman et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Electronic structure and phase stability of MgO, ZnO, CdO, and related ternary alloys
- (2008) Y. Z. Zhu et al. PHYSICAL REVIEW B
- Dynamic Ion Pairs in the Adsorption of Isolated Water Molecules on Alkaline-Earth Oxide (001) Surfaces
- (2008) Javier Carrasco et al. PHYSICAL REVIEW LETTERS
- Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
- (2008) John P. Perdew et al. PHYSICAL REVIEW LETTERS
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 MoreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search