Published May 1986
| Version v1
Journal article
Electronic structure of MgO, CaO, SrO in the method of crystal cluster
Creators
- 1. Ural'skij Politekhnicheskij Inst., Sverdlovsk (USSR)
Description
Electronic structure analysis of MO (M-Mg, Ca, Sr) oxide perfect crystals is carried out by the method of crystal cluster (within the framework of SCF-Xsub(α) method). The values of energy gaps between filled and vacant orbitals as well as the values of electron charges in different regions of (MO6)10- clusters are determined. Ionic character of chemical bond in MgO-CaO-SrO series is shown to grow. Charge configuration of ions in oxides is similar to M2+-O- model, where the tenth electron of oxygen ion is distributed uniformly in an elementary cell
Additional details
Additional titles
- Original title (Russian)
- Электронная структура MgO, CaO, SrO в методе кристаллического кластера
Publishing Information
- Journal Title
- Zh. Strukt. Khim.
- Journal Volume
- 27
- Journal Issue
- 3
- Series
- Zh. Strukt. Khim.
- Journal Page Range
- 154-155
- ISSN
- 0136-7463
- CODEN
- ZSTKA
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- USSR
- INIS RN
- 18012519
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- CHEMICAL BONDS; CRYSTALS; ELECTRONIC STRUCTURE; STRONTIUM OXIDES
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; CHALCOGENIDES; OXIDES; OXYGEN COMPOUNDS; STRONTIUM COMPOUNDS
Optional Information
- Notes
- For English translation see the journal Journal of Structural Chemistry (USA).