✦ LIBER ✦

Structural and electronic properties of PbTiO3 slabs: a DFT periodic study

✍ Scribed by Sergio de Lazaro; Elson Longo; Julio Ricardo Sambrano; Armando Beltrán

Book ID: 108278841
Publisher: Elsevier Science
Year: 2004
Tongue: English
Weight: 674 KB
Volume: 552
Category: Article
ISSN: 0039-6028
DOI: 10.1016/j.susc.2004.01.041

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Bulk properties and electronic structure

Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study

✍ S Piskunov; E Heifets; R.I Eglitis; G Borstel 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 689 KB

A DFT study for the structural and elect

A DFT study for the structural and electronic properties of ZnmSennanoclusters

✍ Yadav, Phool Singh; Pandey, Dheeraj Kumar 📂 Article 📅 2012 🏛 Springer-Verlag 🌐 English ⚖ 357 KB

Structural and electronic properties of

Structural and electronic properties of phosphorus-doped titanium clusters: A DFT study

✍ Hualan Wang; Na Hu; Duan-Jian Tao; Zhang-Hui Lu; Jing Nie; Xiang-Shu Chen 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 635 KB

Density functional theory (DFT) investig

Density functional theory (DFT) investigation on the structure and electronic properties of the cubic perovskite PbTiO3

✍ Huizhi Lv; Hongwei Gao; Yue Yang; Lekun Liu 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 750 KB

DFT study on structural, electronic, and

DFT study on structural, electronic, and vibrational properties of the highest oxygenated fullerene C24O12

✍ Zhen Wang; Jing Zhang 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 932 KB

DFT study of the structural and electron

DFT study of the structural and electronic properties of small Nin (n=2–4) clusters

✍ G. Andrés Cisneros; Miguel Castro; Dennis R. Salahub 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 613 KB

All-electron calculations were performed for Ni , Ni , and Ni clusters 2 3 4 and their respective anions and cations using density functional theory techniques as implemented in the DGauss code. Both local and generalized gradient-corrected functionals were employed. Three different multiplicities w