Why is BeGeN$_2$ different? A computational bonding analysis
Fuente:
arXiv
Guardado en:
| Autor principal: | |
|---|---|
| Formato: | Preprint |
| Publicado: |
2024
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| _version_ | 1866916457039790080 |
|---|---|
| author | Breternitz, Joachim |
| author_facet | Breternitz, Joachim |
| contents | Until recently, all known ordered II-IV-N2 materials crystallised in the $β$-NaFeO$_2$-type in space group Pna2$_1$. BeGeN$_2$, however, crystallises in space group Pmc2$_1$, with a different cation ordering motif long anticipated for this materials class. Chemical bonding analysis is used to rationalise this particular behaviour. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2410_20980 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Why is BeGeN$_2$ different? A computational bonding analysis Breternitz, Joachim Materials Science Strongly Correlated Electrons Until recently, all known ordered II-IV-N2 materials crystallised in the $β$-NaFeO$_2$-type in space group Pna2$_1$. BeGeN$_2$, however, crystallises in space group Pmc2$_1$, with a different cation ordering motif long anticipated for this materials class. Chemical bonding analysis is used to rationalise this particular behaviour. |
| title | Why is BeGeN$_2$ different? A computational bonding analysis |
| topic | Materials Science Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2410.20980 |