𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Band Magnetism in A2T2Sn (A=Ce, U; T=Ni, Pd) from Local Spin Density Functional Calculations

✍ Scribed by S.F. Matar; A. Mavromaras

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
169 KB
Volume
149
Category
Article
ISSN
0022-4596

No coin nor oath required. For personal study only.

✦ Synopsis

The electronic and magnetic properties of A 2 T 2 Sn (A ‫؍‬ Ce, U; T ‫؍‬ Ni, Pd) intermetallic systems are self-consistently calculated within the local spin density functional (LSDF) theory using the augmented spherical wave (ASW) method. Trends of the magnetism are discussed in terms of the characteristics of the Ce(4 f ) and U(5 f ) states as well as the energetic position of the transition metal element d states.

📜 SIMILAR VOLUMES

A Range of Spin-Crossover Temperature T1
A Range of Spin-Crossover Temperature T1/2>300 K Results from Out-of-Sphere Anion Exchange in a Series of Ferrous Materials Based on the 4-(4-Imidazolylmethyl)-2-(2-imidazolylmethyl)imidazole (trim) Ligand, [Fe(trim)2]X2 (X=F, Cl, Br, I): Comparison of Experimental Results with Those Derived from Density Functional Theory Calculations
✍ Gilles Lemercier; Nicolas Bréfuel; Sergiu Shova; Juliusz A. Wolny; Françoise Dah 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 228 KB 👁 2 views
Local density functional theory applied
Local density functional theory applied to spin coupling in Fe6S3.0.CO;2-J/asset/equation/tex2gif-stack-1.gif?v=1&t=h5o1u1m2&s=248cde37d0cd6fb4a238895ae4a712ab8ee794fd" class="inlineGraphic"> supercluster
✍ Marian Czerwiński 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 340 KB 👁 1 views

Using density functional theory DFT , the multiplicity of the ground state was determined for Fe S Cl 1y ions as well as the order of the excited spin states. A 6 6 6 method to determine the exchange integrals J of the Fe S 5q cluster is presented based on 6 6 these results and a spin-coupling alge