The nature of Mn4+ luminescence in the orthorhombic perovskite, GdAlO3

A. M. Srivastava; M. G. Brik

doi:10.1016/j.optmat.2016.06.032

The nature of Mn⁴⁺ luminescence in the orthorhombic perovskite, GdAlO₃

A. M. Srivastava^*
, M. G. Brik

^*Šī darba korespondējošais autors

General Electric
Chongqing University of Posts and Telecommunications
University of Tartu
Jan Dlugosz University in Czestochowa

Zinātniskās darbības rezultāts: Devums žurnālam › Zinātniskais raksts (žurnālā) › koleģiāli recenzēts

37 Atsauces (Scopus)

Kopsavilkums

In this paper we report on the spectroscopic properties of Mn⁴⁺ (3d³) ion in the orthorhombic perovskite, GdAlO₃ and calculate the energy levels using the exchange charge model of crystal-field theory. The calculated Mn⁴⁺ energy levels are in good agreement with the experimental data. The results of our calculations yield the crystal-field splitting and Racah parameters of Dq = 2083 cm⁻¹, B = 780 cm⁻¹ and C = 2864 cm⁻¹, with C/B = 3.67. The emission spectrum is composed of the zero phonon line (²E_g → ⁴A_2g transition) with dominating intensity and its vibrational sidebands. We have also calculated Mulliken atomic charges and bond populations for three isostructural perovskites (GdAlO₃, LaGaO₃ and CaZrO₃) to seek correlation between the energy position of the Mn⁴⁺ ²E level and the covalence of Mn⁴⁺[sbnd]O^2- chemical bonding.

Oriģinālvaloda	Angļu
Lapas (no-līdz)	207-212
Lapu skaits	6
Žurnāls	Optical Materials
Sējums	63
DOIs	https://doi.org/10.1016/j.optmat.2016.06.032
Publikācijas statuss	Publicēts - 1 janv. 2017
Ārēji publicēts	Jā

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title = "The nature of Mn4+ luminescence in the orthorhombic perovskite, GdAlO3",

abstract = "In this paper we report on the spectroscopic properties of Mn4+ (3d3) ion in the orthorhombic perovskite, GdAlO3 and calculate the energy levels using the exchange charge model of crystal-field theory. The calculated Mn4+ energy levels are in good agreement with the experimental data. The results of our calculations yield the crystal-field splitting and Racah parameters of Dq = 2083 cm−1, B = 780 cm−1 and C = 2864 cm−1, with C/B = 3.67. The emission spectrum is composed of the zero phonon line (2Eg → 4A2g transition) with dominating intensity and its vibrational sidebands. We have also calculated Mulliken atomic charges and bond populations for three isostructural perovskites (GdAlO3, LaGaO3 and CaZrO3) to seek correlation between the energy position of the Mn4+ 2E level and the covalence of Mn4+[sbnd]O2- chemical bonding.",

keywords = "Covalence, Crystal-field splitting, GdAlO, Luminescence, Mn, Perovskite",

author = "Srivastava, \{A. M.\} and Brik, \{M. G.\}",

note = "Publisher Copyright: {\textcopyright} 2016",

year = "2017",

month = jan,

day = "1",

doi = "10.1016/j.optmat.2016.06.032",

language = "English",

volume = "63",

pages = "207--212",

journal = "Optical Materials",

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T1 - The nature of Mn4+ luminescence in the orthorhombic perovskite, GdAlO3

AU - Srivastava, A. M.

AU - Brik, M. G.

PY - 2017/1/1

Y1 - 2017/1/1

N2 - In this paper we report on the spectroscopic properties of Mn4+ (3d3) ion in the orthorhombic perovskite, GdAlO3 and calculate the energy levels using the exchange charge model of crystal-field theory. The calculated Mn4+ energy levels are in good agreement with the experimental data. The results of our calculations yield the crystal-field splitting and Racah parameters of Dq = 2083 cm−1, B = 780 cm−1 and C = 2864 cm−1, with C/B = 3.67. The emission spectrum is composed of the zero phonon line (2Eg → 4A2g transition) with dominating intensity and its vibrational sidebands. We have also calculated Mulliken atomic charges and bond populations for three isostructural perovskites (GdAlO3, LaGaO3 and CaZrO3) to seek correlation between the energy position of the Mn4+ 2E level and the covalence of Mn4+[sbnd]O2- chemical bonding.

AB - In this paper we report on the spectroscopic properties of Mn4+ (3d3) ion in the orthorhombic perovskite, GdAlO3 and calculate the energy levels using the exchange charge model of crystal-field theory. The calculated Mn4+ energy levels are in good agreement with the experimental data. The results of our calculations yield the crystal-field splitting and Racah parameters of Dq = 2083 cm−1, B = 780 cm−1 and C = 2864 cm−1, with C/B = 3.67. The emission spectrum is composed of the zero phonon line (2Eg → 4A2g transition) with dominating intensity and its vibrational sidebands. We have also calculated Mulliken atomic charges and bond populations for three isostructural perovskites (GdAlO3, LaGaO3 and CaZrO3) to seek correlation between the energy position of the Mn4+ 2E level and the covalence of Mn4+[sbnd]O2- chemical bonding.

KW - Covalence

KW - Crystal-field splitting

KW - GdAlO

KW - Luminescence

KW - Mn

KW - Perovskite

UR - https://www.scopus.com/pages/publications/84977642000

U2 - 10.1016/j.optmat.2016.06.032

DO - 10.1016/j.optmat.2016.06.032

M3 - Article

AN - SCOPUS:84977642000

SN - 0925-3467

VL - 63

SP - 207

EP - 212

JO - Optical Materials

JF - Optical Materials

ER -