Physical properties of Ga-Fe-N system relevant for crystallization of GaN – Initial studies

Sadovyi, B.; Sadovyi, Petro; Petrusha, І. A.; Dzięcielewski, Igor; Porowski, S.; Turkevich, V. Z.; Nikolenko, A. S.; Tsykaniuk, B.I.; Strelchuk, V. V.; Grzegory, I.

doi:10.1016/j.jcrysgro.2018.10.035

Cited by 1 publication

(4 citation statements)

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“…The value is relatively large indicating strong interaction between Ga and Fe atoms. The experimental data on liquid Fe:Ga solutions confirm qualitatively, these results by a drastic decrease of Fe melting temperature induced by small concentrations of gallium in iron [ 15 ].…”

Section: Resultsmentioning

confidence: 54%

“…It was assumed that the increase of the sample mass was due to N dissolved in the metal. A background for such an assumption was our previous analysis reported in references [ 15 , 33 ]. For the reported analysis, the composition of the Fe-N samples treated in a similar way as in this work was studied by the Energy Dispersive X-ray Spectroscopy (EDX—ZEISS SEM with BRUKER detector, Oberkochen, Germany) and the Inert Gas Fusion spectroscopy (ON836 LECO, St. Joseph, MI, USA).…”

Section: Methodsmentioning

confidence: 99%

“…Other possible solvents include transition metals, such as Co, Ni or Fe [ 14 , 15 ]. These metals were and still are successfully used in high-pressure solution growth of diamonds [ 16 , 17 ].…”

Section: Introductionmentioning

confidence: 99%

“…The use of Fe is the very basis of extremely successful Sumitomo method of growth of high-quality diamonds [ 18 ]. It has been shown experimentally [ 14 , 15 ] that significant concentrations of nitrogen in the transition metals can be achieved at pressure and temperature conditions relevant for the solution growth of GaN. Thus, iron has high propensity to nitrogen and could potentially catalyze the nitrogen molecule decomposition and its incorporation into GaN crystalline lattice.…”

Section: Introductionmentioning

confidence: 99%

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Nitrogen Dissolution in Liquid Ga and Fe: Comprehensive Ab Initio Analysis, Relevance for Crystallization of GaN

et al. 2021

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The dissolution of molecular nitrogen in Ga and Fe was investigated by ab initio calculations and some complementary experiments. It was found that the N bonding inside these solvents is fundamentally different. For Ga, it is between Ga4s and Ga4p and N2p states whereas for Fe this is by N2p to Fe4s, Fe4p and Fe3d states. Accordingly, the energy of dissolution of N2 for arbitrarily chosen starting atomic configurations was 0.535 eV/mol and −0.299 eV/mol for Ga and Fe, respectively. For configurations optimized with molecular dynamics, the difference between the corresponding energy values, 1.107 eV/mol and 0.003 eV/mol, was similarly large. Full thermodynamic analysis of chemical potential was made employing entropy-derived terms in a Debye picture. The entropy-dependent terms were obtained via a normal conditions path to avoid singularity of ideal gas entropy at zero K. Nitrogen solubility as a function of temperature and N2 pressure was evaluated, being much higher for Fe than for Ga. For T=1800 K and p=104 bar, the N concentration in Ga was 3×10−3 at. fr. whereas for Fe, it was 9×10−2 at. fr. in very good agreement with experimental data. It indicates that liquid Fe could be a prospective solvent for GaN crystallization from metallic solutions.

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Section: Resultsmentioning

confidence: 54%

Section: Methodsmentioning

confidence: 99%