✦ LIBER ✦

Magnetic and binding properties of metal-divacancy complexes at MgO (0 0 1) surface: DFT calculations

✍ Scribed by A.S. Shalabi; W.S. Abdel Halim; M.S. Ghonaim

Publisher: Elsevier Science
Year: 2011
Tongue: English
Weight: 391 KB
Volume: 406
Category: Article
ISSN: 0921-4526
DOI: 10.1016/j.physb.2010.10.084

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Intermixing at Crn/Cu(0 0 1) i

Intermixing at Crn/Cu(0 0 1) interface and the magnetic properties of Cr

✍ Byung Sub Kang; Suhk Kun Oh 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 283 KB

Ground and excited state properties of I

Ground and excited state properties of I–V dipoles and alkaline earth oxides at the (0 0 1) surfaces of alkali chlorides: DFT calculations

✍ A.S Shalabi; A.M El-Mahdy; A.A Shalabi 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 330 KB

Cluster models study of CH2O adsorption

Cluster models study of CH2O adsorption and dissociation at defect sites of MgO (0 0 1) surface

✍ Yi-Jun Xu; Yong-Fan Zhang; Nai-Xia Lu; Jun-Qian Li 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 367 KB

The electronic and atomic structure of S

The electronic and atomic structure of SrTiO3, BaTiO3, and PbTiO3(0 0 1) surfaces: Ab initio DFT/HF hybrid calculations

✍ S. Piskunov; E.A. Kotomin; E. Heifets 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 273 KB

Half-metallic properties of the Co2Ti1−x

Half-metallic properties of the Co2Ti1−xFexGa Heusler alloys and Co2Ti0.5Fe0.5Ga (0 0 1) surface

✍ F. Ahmadian; A. Boochani 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 372 KB

Electronic and magnetic properties of the bulk Co 2 Ti 1 À x Fe x Ga Heusler alloys and Co 2 Ti 0.5 Fe 0.5 Ga (0 0 1) surfaces are studied within the framework of density functional theory using the augmented plane wave plus local orbital (APWþ lo) approach. It will be shown that all alloys have the

Interface properties of metal/cytosine/S

Interface properties of metal/cytosine/Si(1 1 1):H heterostructures studied by means of SERS and DFT

✍ S.D. Silaghi; G. Salvan; M. Friedrich; T.U. Kampen; R. Scholz; D.R.T. Zahn 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 181 KB

Magnetic and binding properties of metal-divacancy complexes at MgO (0&#xa0;0&#xa0;1) surface: DFT calculations

Magnetic and binding properties of metal-divacancy complexes at MgO (0 0 1) surface: DFT calculations