2020
DOI: 10.1016/j.ceramint.2020.02.279
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Structure and properties of nano SiC coatings in-situ fabricated by laser irradiation

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Cited by 13 publications
(3 citation statements)
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“…FT-DFT and AIMD calculations were carried out using the generalized gradient approximation with the exchange correlation energy functional as proposed by Perdew-Burke-Erzenhof (PBE) [32]. The projector augmented-wave (PAW) method was used to describe the electron-ion interactions [33,34], as implemented in the Vienna ab initio simulation package (VASP) [35], version 6.2.1, where the following PAW valence states 4d 10 , 5s 1 and 4s 2 , 4p 5 for Ag and Br were employed, respectively. The equilibrium geometries for AgBr were obtained by stress-tensor minimization with a plane wave expansion cutoff of 500 eV, while the force optimization cutoff was 281 eV, which is 12.5% larger than the cutoff energy recommended by the VASP package.…”
Section: Theoretical Approach and Computational Detailsmentioning
confidence: 99%
See 1 more Smart Citation
“…FT-DFT and AIMD calculations were carried out using the generalized gradient approximation with the exchange correlation energy functional as proposed by Perdew-Burke-Erzenhof (PBE) [32]. The projector augmented-wave (PAW) method was used to describe the electron-ion interactions [33,34], as implemented in the Vienna ab initio simulation package (VASP) [35], version 6.2.1, where the following PAW valence states 4d 10 , 5s 1 and 4s 2 , 4p 5 for Ag and Br were employed, respectively. The equilibrium geometries for AgBr were obtained by stress-tensor minimization with a plane wave expansion cutoff of 500 eV, while the force optimization cutoff was 281 eV, which is 12.5% larger than the cutoff energy recommended by the VASP package.…”
Section: Theoretical Approach and Computational Detailsmentioning
confidence: 99%
“…Femtosecond laser irradiation (FLI) on semiconductor structures has attracted the attention of the scientific community due to its ability to produce and functionalize new materials by engineering their structure, and the electronic and optical properties [1][2][3][4], with applications in medicine and the electronic industry [5][6][7]. FLI induces structural changes and electronic excitation on the irradiated material [8].…”
Section: Introductionmentioning
confidence: 99%
“…Several methods are used to prepare SiC coatings. Pack cementation is cheap, simple, and it has no sample shape requirements [14][15][16][17][18]. Through the use of this technique, all layers of a surface can be coated using a single process.…”
Section: Introductionmentioning
confidence: 99%