A solid-state hybrid density functional theory study of Prussian blue analogues and related chlorides at pressure
- Author
- MIDDLEMISS, Derek S1 ; LAWTON, Lorreta M1 ; WILSON, Chick C1
[1] Department of Chemistry and WestCHEM Research School, University Avenue, University of Glasgow, Glasgow G12 8QQ, United Kingdom - Source
Journal of physics. Condensed matter (Print). 2008, Vol 20, Num 33 ; 335231.1-335231.13 ; ref : 51 ref
- CODEN
- JCOMEL
- ISSN
- 0953-8984
- Scientific domain
- Crystallography; Metallurgy, welding; Condensed state physics
- Publisher
- Institute of Physics, Bristol
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Approximation champ moyen Champ cristallin Equation état Hamiltonien Hexacyanoferrate «II» Interaction échange Module compression Méthode fonctionnelle densité Ordre magnétique Structure électronique
- Keyword (en)
- Mean field approximation Crystal field Equations of state Hamiltonians Ferrocyanides Exchange interactions Bulk modulus Density functional method Magnetic ordering Electronic structure
- Keyword (es)
- Aproximación campo medio Módulo volumétrico
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A20 Electron density of states and band structure of crystalline solids
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70E Magnetic properties and materials / 001B70E25 Spin arrangements in magnetically ordered materials (including neutron and spin-polarized electron studies, synchrotron-source x-ray scattering, etc.)
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 20580240
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1088/0953-8984/20/33/335231 
https://dx.doi.org/10.1088/0953-8984/20/33/335231
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