Nonlinear optical β-BaB2O4 (BBO) crystals have been grown in six different systems belonging to the Na, Ba, B//O, F quaternary reciprocal system: I BaB2O4–BaF2, II BaB2O4–(NaF)2, III BaB2O4–Ba2Na3[B3O6]2F, IV BaB2O4–NaBO2, V BaB2O4–NaBaBO3, and VI BaB2O4–NaBaBO3–Ba2Na3[B3O6]2F. Comparative characteristics of the systems and grown crystals are given. The best results in terms of crystal quality have been achieved in systems V and VI. The observed occurrence of scattering centers in β-BaB2O4 crystals might be associated with the sodium concentration in the initial high-temperature solution, and, as a consequence, with the sodium concentration in the β-BaB2O4 crystal. The PT-diagram and electronic properties of BaB2O4 polymorphs were studied using the first-principles calculations.
Предметные области OECD FOS+WOS
- 2.05 ТЕХНОЛОГИЯ МАТЕРИАЛОВ
- 1.03 ФИЗИЧЕСКИЕ НАУКИ И АСТРОНОМИЯ
- 1.04 ХИМИЧЕСКИЕ НАУКИ