✦ LIBER ✦

Ab initio calculations of elastic modulus and electronic structures of cubic

✍ Scribed by Z.F. Hou

Publisher: Elsevier Science
Year: 2008
Tongue: English
Weight: 291 KB
Volume: 403
Category: Article
ISSN: 0921-4526
DOI: 10.1016/j.physb.2008.01.025

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations of elastic proper

Ab initio calculations of elastic properties and electronic structure of calcium selenide

✍ F. Marinelli; P. Masri; A. Lichanot 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 254 KB

Ab initio comparative study of the struc

Ab initio comparative study of the structural, elastic and electronic properties of antiperovskite cubic compounds

✍ D. Cherrad; D. Maouche; L. Louail; M. Maamache 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 672 KB

The structural, elastic and electronic properties of intermetallic SnAMn 3 compounds with the cubic antiperovskite structure have been investigated, by employing ab initio calculations. The elastic constants and their pressure dependence are calculated using the static finite strain technique. We de

Electronic structure and optical propert

Electronic structure and optical properties of from ab initio calculations

✍ P.O. Adebambo; K.M. Bamgbose; J.A. Olowofela; J.A. Oguntuase; G.A. Adebayo 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 234 KB

Ab initio calculations of the atomic and

Ab initio calculations of the atomic and electronic structure of layered Ba0.5Sr0.5TiO3 structures

✍ S. Piskunov; E.A. Kotomin; D. Fuks; S. Dorfman 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 144 KB

Normal coordinate ab initio calculations

Normal coordinate ab initio calculations of cubic anharmonicity constants

✍ H.L. Sellers; J.F. Pinegar; Lothar Schäfer 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 434 KB

A procedure is described to calculate cubic molecular anharmonicity constants by numerical dxfferentiatmn of ab initio forces in vibrational normal coordinate space. The method is sampler than comparable procedures and is useful in determining normal coordinnte anharmonicit) of isotopic species. Res

Ab initio calculations of the electronic

Ab initio calculations of the electronic structure of helical polymers

✍ J. M. André; D. P. Vercauteren; V. P. Bodart; J. G. Fripiat 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 950 KB

An ab initio self-consistent-field (scF) algorithm taking into account all the features of the one-dimensional translational periodicity and the helical symmetry is presented. This algorithm includes the long-range correction to the Coulomb potential and is designed to calculate the band structure o