Yam Code

New Paste Browse

https://www.selleckchem.com/ The multiple band nature of PdTe2 is further confirmed from Hall effect measurements.A recent experimental study of the metallization of hydrogen tracked the direct band gap and vibron frequency via infrared measurements up to ∼425 GPa (Loubeyre et al (2020 Nature 577 631). Above this pressure, the direct gap has a discontinuous drop to below the minimum experimentally accessible energy (∼0.1 eV). The authors suggested that this observation is caused by a structural phase transition between the C2/c-24 molecular phase to another molecular phase such as Cmca-12. Here, through ab initio calculations of pressure dependent vibron frequency and direct band gap, we find that the experimental data is consistent with the C2/c-24 phase up to 425 GPa, and suggest that this consistency extends beyond that pressure. Specifically, we find that qualitative changes in the band structure of the C2/c-24 phase lead to a discontinuous drop of the direct band gap, which can explain the observed drop without a structural transition. This alternative scenario, which naturally explains the absence of hysteresis in the measurements, will hopefully motivate further experimental studies to ascertain the structure of the phase above the high pressure 'phase transition'.In this paper, we simulate the nucleation and growth of crystalline nuclei in a molybdenum film cooled at different rates confined between two amorphous walls. We also compare the results for the wall-confined and wall-free systems. We apply the same methodology as in the work (Kirova and Pisarev 2019 J. Cryst. Growth 528 125266) which is based on reconstructing the probability density function for the largest crystalline nucleus in the system. The size of the nucleus and the asphericity parameter are considered as the reaction coordinates. We demonstrate that in both the free and confined systems there are two mechanisms of crystal growth the attachment of atoms to the biggest crystal from the amor

Paste Settings

Paste Title : [Optional]

Paste Folder : [Optional]

Syntax Highlighting : [Optional]

Paste Expiration : [Optional]

Paste Status : [Optional]

Password : [Optional]

Description: [Optional]

Tags: [Optional]

Encrypt Paste (?)

You are currently not logged in, this means you can not edit or delete anything you paste. Sign Up or Login

Paste Settings

Site Languages