Electronic structure, magnetic and optical properties of the Ba7(BO3)4−F2+3 crystal

Yelisseyev, P.; Solntsev, V. P.; Jiang, Xingxing; Bekker, T. B.; Lin, Zheshuai; Федоров, П. П.

doi:10.1016/j.jssc.2015.06.014

Cited by 7 publications

(16 citation statements)

References 22 publications

(35 reference statements)

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“…As the deviation of g x and g y from the g factor of a free electron is caused by the admixture of p x and p y states in the basic p z state because of the spin–orbital interaction, i.e., Δ g x = −2λε 2 / E x and Δ g y = −2λε 2 / E y , , then using the following values of constants of spin–orbital bonding and the coefficient of a degree of covalent bonding λ O – = −150 cm –1 and ε 2 = 0.86, respectively, we obtain a splitting of p levels (distance of overlying p x and p y states from the p z state) for ion O – : E x = 18170 cm –1 (λ = 550 nm), and E y = 19111 cm –1 (λ = 523 nm). The latter are in good agreement with the optical absorption bands at λ = 520 nm and λ = 580 nm and blue-purple color of irradiated fluoride borates. − …”

Section: Resultssupporting

confidence: 83%

Nature of the Color of Borates with “Anti-Zeolite” Structure

et al. 2018

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Crystals of the Mn Ba(BO)F phase were grown from a high-temperature solution. This new fluoride borate is built of positively charged [Ba(BO)] blocks, the so-called "anti-zeolite" pattern. Using X-ray single-crystal diffraction, the bulk atomic arrangement in the centrosymmetric tetragonal unit cell in I4/ mcm could be elucidated. Crystals of the (MnF) group-containing solid solution Mn Ba(BO)F are dark brown in color in contrast to the differently colored crystals of (LiF) group-containing "anti-zeolite" LiBa(BO)F ( P4 bc). According to the electron spin resonance and optical spectroscopic investigation, the absorption spectrum of LiBa(BO)F crystals results from the absorption of light by both exciton and free charge carriers and can be tuned by varying the initial composition of the high-temperature solution.

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Section: Resultssupporting

confidence: 83%

Nature of the Color of Borates with “Anti-Zeolite” Structure

et al. 2018

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“…It has been found that the color in the X-ray irradiated Ba 7 (BO 3 ) 3.51 F 3.47 samples can decay spontaneously at T = 300 K in the darkness (about 25 % in the first hour after X-ray exposure) and the intensity of ESR spectra decreases [22]. properties with the reported X-ray sensitivity and formation of stable electron-hole pairs makes the creation of X-ray storage phosphor possible.…”

Section: Optical Centers In Ba 4-x Sr 3+x (Bo 3 ) 4-y F 2+3y Solid Somentioning

confidence: 77%

Fluoride Borates with [(BO₃)F]^4– ↔ [F₄]^4– Anionic Isomorphism and X-ray Sensitivity

Bekker

Solntsev

Yelisseyev

et al. 2016

Crystal Growth & Design

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Crystals of Ba 7 (BO 3 ) 4-y F 2+3y and Ba 4-x Sr 3+x (BO 3 ) 4-y F 2+3y solid solutions display a phenomenon that has never been described for borates before -X-ray irradiation induces strong absorption in the visible range and, as the result, coloring of the crystals up to dark purple. The induced absorption can be removed by illumination with a wavelength of 300−400 nm. Owing to this phenomenon these crystals are promising sensor applicable to fixing X-ray images. With the use of electron spin resonance and optical spectroscopy it has been found that the formation of color centers is connected with the [(BO 3 )F] 4-and [F 4 ] 4-tetrahedral groups, which are the distinguishing feature of Ba 7 (BO 3 ) 4-y F 2+3y and Ba 4-x Sr 3+x (BO 3 ) 4-y F 2+3y structure. Partial replacement of Ba 2+ to Sr 2+ in the crystal lattice of Ba 4-x Sr 3+x (BO 3 ) 4-y F 2+3y leads to the formation of the stable electron-hole pairs under X-ray irradiation. The opportunity to vary the cationic and anionic sublattice composition within the same crystal structure becomes a prospective tool to vary physical and chemical properties of the phosphors.

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“…The fluoride borate crystals KBe2BO3F2 (KBBF), RbBe2BO3F2 (RBBF), CsBe2BO3F2 (CBBF) and TlBe2BO3F2 (TBBF) have the trigonal D3-point symmetry (R32) [120][121][122]. The fluoride borate crystal, Sr3[(BexB1-x)3O10][Be(O1-xFx)3], x = 0.33, has its polar trigonal C3v point symmetry, while some other crystals (BaAlBO3F2, C3h, Ba7(BO3)4−xF2+3x, C6, Sr2Be2B2O7, D3h, NaBeBO3, D3h)-the hexagonal structure [124][125][126][127][128]. According to their oxide bond length, the borate and fluoride borate crystals with the moderate χ (2) -level are positioned in regions 1-2 or 7 ( Figures 16 and 17).…”

Section: Interrelationship "Composition-structure-oxide Bond Length-nmentioning

confidence: 99%

“…Chen and others [14,15], and the crystal growth technology was developed in many studies [117][118][119]. Earlier, and for the last years, some deep UV borate and fluoride-borate crystals have been grown [120][121][122][123][124][125][126]. These crystals expanded the possible boundary of transparence in the UV spectral region in comparison with borate crystals, and the essential part of these contributions was carried out by the Chen's group and other scientists [14,15,101,[120][121][122][123][124][125][126][127][128][129][130] 3 ], x = 0.33, has its polar trigonal C 3v point symmetry, while some other crystals (BaAlBO 3 F 2 , C 3h , Ba 7 (BO 3 ) 4−x F 2+3x , C 6 , Sr 2 Be 2 B 2 O 7 , D 3h, NaBeBO 3 , D 3h )-the hexagonal structure [124][125][126][127][128].…”

Section: Interrelationship "Composition-structure-oxide Bond Length-nmentioning

confidence: 99%

Comparative Interrelationship of the Structural, Nonlinear-Optical and Other Acentric Properties for Oxide, Borate and Carbonate Crystals

Kidyarov

2017

Crystals

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Abstract:The structure and the maximal nonlinear optical (NLO) susceptibility χ (2) are tabulated for more 700 acentric binary oxides, 220 crystals of simple, binary and complex borates and for the same set of 110 carbonates, tartrates, formates, oxalates, acetates and fluoride-carbonates used in ultraviolet and deep ultraviolet optoelectronics. According to the chemical formula, the structural symbols of these crystals have been plotted on the plane of two minimal oxide bond lengths (OBL). It is shown that acentric crystals are positioned on such plane inside the vertical, horizontal and slope intersected ellipses of "acentricity". The oxide and borate crystals with moderate NLO susceptibility are found in the central parts of these ellipses intersection and, with low susceptibility, on top, at the bottom and border of the ellipses rosette. The nonpolar fluoride-carbonate crystals with high NLO susceptibility are found in the curve-side rhombic parts of the slope ellipse of "acentricity". The unmonotonous fuzzy dependence "χ (2) " on the OBL of these crystals is observed, and their clear-cut taxonomy on compounds with π-or σ-oxide bonds is also established. It is shown that the correlations of χ (2) with other acentric properties are nonlinear for the whole set of the oxide crystals having their clear maximum at a certain value of the piezoelectric or electro-optic coefficient. The correlation "hardness-thermoconductivity-fusibility" is plotted for oxide crystals, part of which is used at the creation of self-frequency-doubling solid state lasers.

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Electronic structure, magnetic and optical properties of the Ba7(BO3)4−F2+3 crystal

Cited by 7 publications

References 22 publications

Nature of the Color of Borates with “Anti-Zeolite” Structure

Nature of the Color of Borates with “Anti-Zeolite” Structure

Fluoride Borates with [(BO₃)F]^4– ↔ [F₄]^4– Anionic Isomorphism and X-ray Sensitivity

Comparative Interrelationship of the Structural, Nonlinear-Optical and Other Acentric Properties for Oxide, Borate and Carbonate Crystals

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Electronic structure, magnetic and optical properties of the Ba7(BO3)4−F2+3 crystal

Cited by 7 publications

References 22 publications

Nature of the Color of Borates with “Anti-Zeolite” Structure

Nature of the Color of Borates with “Anti-Zeolite” Structure

Fluoride Borates with [(BO3)F]4– ↔ [F4]4– Anionic Isomorphism and X-ray Sensitivity

Comparative Interrelationship of the Structural, Nonlinear-Optical and Other Acentric Properties for Oxide, Borate and Carbonate Crystals

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Fluoride Borates with [(BO₃)F]^4– ↔ [F₄]^4– Anionic Isomorphism and X-ray Sensitivity