Title of article :
Electronic structure and equation of state of PdO2 from ab initio
Author/Authors :
Matar، نويسنده , , Samir F. and Demazeau، نويسنده , , Gérard and Mِller، نويسنده , , Manfred H. and Pِttgen، نويسنده , , Rainer، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2011
Pages :
4
From page :
215
To page :
218
Abstract :
The electronic band structure and chemical bonding properties of rutile type PdO2 are calculated in the context of the difficulties encountered for its synthesis. They are provided based on ab initio determination of the lattice parameters and energy–volume equation of state leading to a metallic behavior within the ground state rutile structure.
Journal title :
Chemical Physics Letters
Serial Year :
2011
Journal title :
Chemical Physics Letters
Record number :
1931356
Link To Document :
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