Role of relativity in high-pressure phase transitions of thallium

We demonstrate the relativistic effects in high-pressure phase transitions of heavy element thallium. The known first phase transition from h.c.p. to f.c.c. is initially investigated by various relativistic levels and exchange-correlation functionals as implemented in FPLO method, as well as scalar...

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Detalles Bibliográficos
Autores principales: Kotmool, Komsilp, Chakraborty, Sudip, Bovornratanaraks, Thiti, Ahuja, Rajeev
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5316991/
https://www.ncbi.nlm.nih.gov/pubmed/28216669
http://dx.doi.org/10.1038/srep42983

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5316991/
https://www.ncbi.nlm.nih.gov/pubmed/28216669
http://dx.doi.org/10.1038/srep42983

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