Investigation of defect structure of impurity-doped lithium niobate by combining thermodynamic constraints with lattice constant variations

Journal Article · Wed Jan 07 04:00:00 EST 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4905286· OSTI ID:22399208

Koyama, Chihiro; Nozawa, Jun; Fujiwara, Kozo; Uda, Satoshi ^[1]; Maeda, Kensaku ^[2]

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1. Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)
2. Department of Materials Science and Engineering, Graduate School of Engineering, Tohoku University, Aramaki Aza Aoba 6-6-11-1020, Sendai 980-8579 (Japan)

The defect structures of impurity-doped congruent lithium niobates (c-LN) were determined for impurities with various valences, including divalent, trivalent, and tetravalent impurities, in a concentration range where antisite niobium (Nb{sub Li}) exists. On the basis of the “Li site vacancy model,” six kinds of defect structures in impurity-doped c-LN are possible. Using thermodynamic constraints, these can be narrowed down to two kinds. The first structure is that in which impurities, vacancies and Nb exist as defects in the Li site and no defects exist in the Nb site (structure A), described as ([Li{sub Li}] {sub 1-5x-jy}[Nb{sub Li}]{sub x}[M{sub Li}]{sub y}[V{sub Li}]{sub 4x+(j-1)y})[Nb{sub Nb}][O{sub O}] {sub 3} (V: vacancy, M: impurity, j: valence of impurity, x, y: compositional variable (≠0), Li/Nb = congruent ratio). ([Li{sub Li}{sup ×}] {sub 1-5x-2y}[Nb{sub Li}{sup ••••}]{sub x}[M{sub Li}{sup •}]{sub y}[V{sub Li}{sup ′}]{sub 4x+y})[Nb{sub Nb}{sup ×}][O{sub O}{sup ×}] {sub 3} is an example by the Kröger-Vink notation for divalent M. In the second structure, vacancies and Nb exist as defects in the Li site and impurities exist as defects in the Nb site (structure B), described as ([Li{sub Li}] {sub 1-5x-(j-5)y}[Nb{sub Li}]{sub x}[V{sub Li}]{sub 4x+(j-5)y})([Nb{sub Nb}] {sub 1-y}[M{sub Nb}]{sub y})[O{sub O}] {sub 3}. ([Li{sub Li}{sup ×}] {sub 1-5x+y}[Nb{sub Li}{sup ••••}]{sub x}[V{sub Li}{sup ′}]{sub 4x-y})([Nb{sub Nb}{sup ×}] {sub 1-y}[M{sub Nb}{sup ′}]{sub y})[O{sub O}{sup ×}] {sub 3} is an example for tetravalent M. Since the relationship between impurity concentration and lattice constants for structures A and B differs, the defect structures can be differentiated by analyzing lattice constant variations as a function of impurity concentration. The results show that the defect structure of divalent and trivalent impurity-doped c-LN is structure A and that of tetravalent impurity-doped c-LN is structure B. The Nb{sub Li} concentration increased with increasing tetravalent impurity concentration. In contrast, the Nb{sub Li} concentration decreased with increasing divalent and trivalent impurities, leading to suppression of optical damage. The valence of an impurity determines whether the impurity is located in the Li site or Nb site in c-LN, consequently determining whether Nb{sub Li} decreases or increases when the population of the impurity changes.

• OSTI ID: 22399208
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 1 Vol. 117; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CONCENTRATION RATIO
CRYSTAL LATTICES
DOPED MATERIALS
LATTICE PARAMETERS
LIMITING VALUES
LITHIUM COMPOUNDS
NIOBATES
NIOBIUM
VACANCIES
VALENCE
VARIATIONS