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alpha-Fe single crystals of rhombic dodecahedral habit were grown from a melt of Li$_{84}$N$_{12}$Fe$_{sim 3}$. Crystals of several millimeter along a side form at temperatures around $T approx 800^circ$C. Upon further cooling the growth competes with the formation of Fe-doped Li$_3$N. The b.c.c. structure and good sample quality of alpha-Fe single crystals were confirmed by X-ray and electron diffraction as well as magnetization measurements and chemical analysis. A nitrogen concentration of 90,ppm was detected by means of carrier gas hot extraction. Scanning electron microscopy did not reveal any sign of iron nitride precipitates.
We use a new, quantum-mechanics-based bond-order potential (BOP) to reveal melt-growth dynamics and fine-scale defect formation mechanisms in CdTe crystals. Previous molecular dynamics simulations of semiconductors have shown qualitatively incorrect
We report an optimized chemical vapor transport method, which allows growing FeP single crystals up to 500 mg in mass and 80 $mm^{3}$ in volume. The high quality of the crystals obtained by this method was confirmed by means of EDX, high-resolution T
The atomic displacements associated with the freezing of metals and salts are calculated by treating crystal growth as an assignment problem through the use of an optimal transport algorithm. Converting these displacements into time scales based on t
Boron-doped single crystal diamond films were grown homoepitaxially on synthetic (100) Type Ib diamond substrates using microwave plasma assisted chemical vapor deposition. A modification in surface morphology of the film with increasing boron concen
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a realistic intera