标题
First-principles study of electronic and structural properties of CuO
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 84, Issue 11, Pages -
出版商
American Physical Society (APS)
发表日期
2011-09-15
DOI
10.1103/physrevb.84.115108
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。- High-TcFerroelectricity Emerging from Magnetic Degeneracy in Cupric Oxide
- (2011) Gianluca Giovannetti et al. PHYSICAL REVIEW LETTERS
- Spin-State Crossover and Hyperfine Interactions of Ferric Iron inMgSiO3Perovskite
- (2011) Han Hsu et al. PHYSICAL REVIEW LETTERS
- High-throughput electronic band structure calculations: Challenges and tools
- (2010) Wahyu Setyawan et al. COMPUTATIONAL MATERIALS SCIENCE
- Determination of the high-pressure properties of fayalite from first-principles calculations
- (2010) Stephen Stackhouse et al. EARTH AND PLANETARY SCIENCE LETTERS
- Systematic study of first-row transition-metal diatomic molecules: A self-consistent DFT+U approach
- (2010) Heather J. Kulik et al. JOURNAL OF CHEMICAL PHYSICS
- Cobalt−Porphyrin Catalyzed Electrochemical Reduction of Carbon Dioxide in Water. 2. Mechanism from First Principles
- (2010) Kevin Leung et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Deep versus Shallow Behavior of Intrinsic Defects in Rutile and Anatase TiO2 Polymorphs
- (2010) Giuseppe Mattioli et al. Journal of Physical Chemistry C
- Thickness dependent structural and electronic properties of CuO grown on SrTiO3(100): a hybrid density functional theory study
- (2010) C Franchini et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Extended DFT +U+Vmethod with on-site and inter-site electronic interactions
- (2010) Vivaldo Leiria Campo Jr et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Projector self-consistentDFT+Uusing nonorthogonal generalized Wannier functions
- (2010) David D. O’Regan et al. PHYSICAL REVIEW B
- Cobalt spin states and hyperfine interactions inLaCoO3investigated byLDA+Ucalculations
- (2010) Han Hsu et al. PHYSICAL REVIEW B
- The Hubbard U correction for iron-bearing minerals: A discussion based on (Mg,Fe)SiO3 perovskite
- (2010) Han Hsu et al. PHYSICS OF THE EARTH AND PLANETARY INTERIORS
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Hybrid density-functional calculation of the electronic and magnetic structures of tetragonal CuO
- (2009) Xing-Qiu Chen et al. PHYSICAL REVIEW B
- Jahn-Teller stabilization of magnetic and orbital ordering in rocksalt CuO
- (2009) Giovanni Peralta et al. PHYSICAL REVIEW B
- First-principles study for low-spinLaCoO3with a structurally consistent HubbardU
- (2009) Han Hsu et al. PHYSICAL REVIEW B
- Tetragonal CuO: End member of the3dtransition metal monoxides
- (2009) Wolter Siemons et al. PHYSICAL REVIEW B
- Anisotropy and magnetism in theLSDA+Umethod
- (2009) Erik R. Ylvisaker et al. PHYSICAL REVIEW B
- Cupric oxide as an induced-multiferroic with high-TC
- (2008) T. Kimura et al. NATURE MATERIALS
- Reduced density matrix functional for many-electron systems
- (2008) S. Sharma 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 MoreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now