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Semiconducting phase of hafnium dioxide under high pressure: a theoretical study by quasi-particle GW calculations

The phase stability of the hafnium dioxide compounds HfO _2 , a novel material with a wide range of application due to its versatility and biocompatibility, is predicted to be achievable by using evolutionary technique, based on first-principles calculations. Herein, the candidate structure of HfO _...

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Autori principali: Thipok Bovornratanaraks, Rajeev Ahuja, Prutthipong Tsuppayakorn-aek
Natura: Artigo
Lingua:Inglês
Pubblicazione: IOP Publishing 2021-01-01
Serie:Materials Research Express
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Accesso online:https://doi.org/10.1088/2053-1591/ac2a98
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