Structural, vibrational, electronic, and luminescence properties of the cyclotetravanadates A2 M (VO3) 4 (A=Na,Ag; M=Ca,Sr)

V. G. Zubkov, L. L. Surat, A. P. Tyutyunnik, I. F. Berger, N. V. Tarakina, B. V. Slobodin, M. V. Kuznetsov, T. A. Denisova, N. A. Zhuravlev, L. A. Perelyaeva, I. V. Baklanova, I. R. Shein, A. L. Ivanovskii, B. V. Shulgin, A. V. Ishchenko, A. N. Tcherepanov, G. Svensson, B. Forslund, M. Yu Skripkin

Research output

16 Citations (Scopus)

Abstract

The physical properties of the family of cyclotetravanadates A2 M (VO3) 4, where A=Na,Ag and M=Ca,Sr, have been studied by means of x-ray powder diffraction, neutron diffraction, electron diffraction, infrared, Raman, NMR, photoexcitation and pulse cathode beam excitation, and x-ray photoelectron spectroscopies, and band structure calculations. The differences between the structural, vibrational, luminescence, and electronic properties of the alkali metal-containing [Na2 Ca (VO3) 4 and Na2 Sr (VO3) 4] and the d metal-containing cyclotetravanadates [Ag2 Ca (VO3) 4 and Ag2 Sr (VO3) 4] are analyzed. Na2 Ca (VO3) 4, Ag2 Ca (VO3) 4, Na2 Sr (VO3) 4, and Ag2 Sr (VO3) 4 have tetragonal structures, P4/nbm, with a=10.43849 (6), 10.44524 (5), 10.63449 (4), and 10.62574 (6), and c=4.93873 (5), 4.96845 (5), 4.96205 (4), and 4.97930 (4) Å, respectively. The main structural feature of A2 M (VO3) 4 is the tetracyclic [V4 O12] units. The hybridized O2p-V3d states of the tetracyclic [V4 O12] units have a dominant influence on the electronic structure of these compounds. The compounds are semiconducting with a local density approximation band gap increasing from 1.85 eV for Ag2 Ca (VO3) 4 to 3.02 eV for Na2 Ca (VO3) 4. The prospects of these compounds as advanced materials for detectors of photon and corpuscular radiation as well as for color correction of light emission sources such as lamp and light emitting diode sources are discussed.

Original languageEnglish
Article number174113
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume77
Issue number17
DOIs
Publication statusPublished - 20 May 2008

Fingerprint

Light sources
Luminescence
corpuscular radiation
luminescence
Alkali Metals
X rays
Local density approximation
Photoexcitation
Light emission
Alkali metals
Neutron diffraction
Photoelectron spectroscopy
photoexcitation
Electric lamps
electronics
Electron diffraction
Electronic properties
Band structure
alkali metals
x ray spectroscopy

Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Zubkov, V. G. ; Surat, L. L. ; Tyutyunnik, A. P. ; Berger, I. F. ; Tarakina, N. V. ; Slobodin, B. V. ; Kuznetsov, M. V. ; Denisova, T. A. ; Zhuravlev, N. A. ; Perelyaeva, L. A. ; Baklanova, I. V. ; Shein, I. R. ; Ivanovskii, A. L. ; Shulgin, B. V. ; Ishchenko, A. V. ; Tcherepanov, A. N. ; Svensson, G. ; Forslund, B. ; Skripkin, M. Yu. / Structural, vibrational, electronic, and luminescence properties of the cyclotetravanadates A2 M (VO3) 4 (A=Na,Ag; M=Ca,Sr). In: Physical Review B - Condensed Matter and Materials Physics. 2008 ; Vol. 77, No. 17.
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title = "Structural, vibrational, electronic, and luminescence properties of the cyclotetravanadates A2 M (VO3) 4 (A=Na,Ag; M=Ca,Sr)",
abstract = "The physical properties of the family of cyclotetravanadates A2 M (VO3) 4, where A=Na,Ag and M=Ca,Sr, have been studied by means of x-ray powder diffraction, neutron diffraction, electron diffraction, infrared, Raman, NMR, photoexcitation and pulse cathode beam excitation, and x-ray photoelectron spectroscopies, and band structure calculations. The differences between the structural, vibrational, luminescence, and electronic properties of the alkali metal-containing [Na2 Ca (VO3) 4 and Na2 Sr (VO3) 4] and the d metal-containing cyclotetravanadates [Ag2 Ca (VO3) 4 and Ag2 Sr (VO3) 4] are analyzed. Na2 Ca (VO3) 4, Ag2 Ca (VO3) 4, Na2 Sr (VO3) 4, and Ag2 Sr (VO3) 4 have tetragonal structures, P4/nbm, with a=10.43849 (6), 10.44524 (5), 10.63449 (4), and 10.62574 (6), and c=4.93873 (5), 4.96845 (5), 4.96205 (4), and 4.97930 (4) {\AA}, respectively. The main structural feature of A2 M (VO3) 4 is the tetracyclic [V4 O12] units. The hybridized O2p-V3d states of the tetracyclic [V4 O12] units have a dominant influence on the electronic structure of these compounds. The compounds are semiconducting with a local density approximation band gap increasing from 1.85 eV for Ag2 Ca (VO3) 4 to 3.02 eV for Na2 Ca (VO3) 4. The prospects of these compounds as advanced materials for detectors of photon and corpuscular radiation as well as for color correction of light emission sources such as lamp and light emitting diode sources are discussed.",
author = "Zubkov, {V. G.} and Surat, {L. L.} and Tyutyunnik, {A. P.} and Berger, {I. F.} and Tarakina, {N. V.} and Slobodin, {B. V.} and Kuznetsov, {M. V.} and Denisova, {T. A.} and Zhuravlev, {N. A.} and Perelyaeva, {L. A.} and Baklanova, {I. V.} and Shein, {I. R.} and Ivanovskii, {A. L.} and Shulgin, {B. V.} and Ishchenko, {A. V.} and Tcherepanov, {A. N.} and G. Svensson and B. Forslund and Skripkin, {M. Yu}",
year = "2008",
month = "5",
day = "20",
doi = "10.1103/PhysRevB.77.174113",
language = "English",
volume = "77",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "17",

}

Zubkov, VG, Surat, LL, Tyutyunnik, AP, Berger, IF, Tarakina, NV, Slobodin, BV, Kuznetsov, MV, Denisova, TA, Zhuravlev, NA, Perelyaeva, LA, Baklanova, IV, Shein, IR, Ivanovskii, AL, Shulgin, BV, Ishchenko, AV, Tcherepanov, AN, Svensson, G, Forslund, B & Skripkin, MY 2008, 'Structural, vibrational, electronic, and luminescence properties of the cyclotetravanadates A2 M (VO3) 4 (A=Na,Ag; M=Ca,Sr)', Physical Review B - Condensed Matter and Materials Physics, vol. 77, no. 17, 174113. https://doi.org/10.1103/PhysRevB.77.174113

Structural, vibrational, electronic, and luminescence properties of the cyclotetravanadates A2 M (VO3) 4 (A=Na,Ag; M=Ca,Sr). / Zubkov, V. G.; Surat, L. L.; Tyutyunnik, A. P.; Berger, I. F.; Tarakina, N. V.; Slobodin, B. V.; Kuznetsov, M. V.; Denisova, T. A.; Zhuravlev, N. A.; Perelyaeva, L. A.; Baklanova, I. V.; Shein, I. R.; Ivanovskii, A. L.; Shulgin, B. V.; Ishchenko, A. V.; Tcherepanov, A. N.; Svensson, G.; Forslund, B.; Skripkin, M. Yu.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 77, No. 17, 174113, 20.05.2008.

Research output

TY - JOUR

T1 - Structural, vibrational, electronic, and luminescence properties of the cyclotetravanadates A2 M (VO3) 4 (A=Na,Ag; M=Ca,Sr)

AU - Zubkov, V. G.

AU - Surat, L. L.

AU - Tyutyunnik, A. P.

AU - Berger, I. F.

AU - Tarakina, N. V.

AU - Slobodin, B. V.

AU - Kuznetsov, M. V.

AU - Denisova, T. A.

AU - Zhuravlev, N. A.

AU - Perelyaeva, L. A.

AU - Baklanova, I. V.

AU - Shein, I. R.

AU - Ivanovskii, A. L.

AU - Shulgin, B. V.

AU - Ishchenko, A. V.

AU - Tcherepanov, A. N.

AU - Svensson, G.

AU - Forslund, B.

AU - Skripkin, M. Yu

PY - 2008/5/20

Y1 - 2008/5/20

N2 - The physical properties of the family of cyclotetravanadates A2 M (VO3) 4, where A=Na,Ag and M=Ca,Sr, have been studied by means of x-ray powder diffraction, neutron diffraction, electron diffraction, infrared, Raman, NMR, photoexcitation and pulse cathode beam excitation, and x-ray photoelectron spectroscopies, and band structure calculations. The differences between the structural, vibrational, luminescence, and electronic properties of the alkali metal-containing [Na2 Ca (VO3) 4 and Na2 Sr (VO3) 4] and the d metal-containing cyclotetravanadates [Ag2 Ca (VO3) 4 and Ag2 Sr (VO3) 4] are analyzed. Na2 Ca (VO3) 4, Ag2 Ca (VO3) 4, Na2 Sr (VO3) 4, and Ag2 Sr (VO3) 4 have tetragonal structures, P4/nbm, with a=10.43849 (6), 10.44524 (5), 10.63449 (4), and 10.62574 (6), and c=4.93873 (5), 4.96845 (5), 4.96205 (4), and 4.97930 (4) Å, respectively. The main structural feature of A2 M (VO3) 4 is the tetracyclic [V4 O12] units. The hybridized O2p-V3d states of the tetracyclic [V4 O12] units have a dominant influence on the electronic structure of these compounds. The compounds are semiconducting with a local density approximation band gap increasing from 1.85 eV for Ag2 Ca (VO3) 4 to 3.02 eV for Na2 Ca (VO3) 4. The prospects of these compounds as advanced materials for detectors of photon and corpuscular radiation as well as for color correction of light emission sources such as lamp and light emitting diode sources are discussed.

AB - The physical properties of the family of cyclotetravanadates A2 M (VO3) 4, where A=Na,Ag and M=Ca,Sr, have been studied by means of x-ray powder diffraction, neutron diffraction, electron diffraction, infrared, Raman, NMR, photoexcitation and pulse cathode beam excitation, and x-ray photoelectron spectroscopies, and band structure calculations. The differences between the structural, vibrational, luminescence, and electronic properties of the alkali metal-containing [Na2 Ca (VO3) 4 and Na2 Sr (VO3) 4] and the d metal-containing cyclotetravanadates [Ag2 Ca (VO3) 4 and Ag2 Sr (VO3) 4] are analyzed. Na2 Ca (VO3) 4, Ag2 Ca (VO3) 4, Na2 Sr (VO3) 4, and Ag2 Sr (VO3) 4 have tetragonal structures, P4/nbm, with a=10.43849 (6), 10.44524 (5), 10.63449 (4), and 10.62574 (6), and c=4.93873 (5), 4.96845 (5), 4.96205 (4), and 4.97930 (4) Å, respectively. The main structural feature of A2 M (VO3) 4 is the tetracyclic [V4 O12] units. The hybridized O2p-V3d states of the tetracyclic [V4 O12] units have a dominant influence on the electronic structure of these compounds. The compounds are semiconducting with a local density approximation band gap increasing from 1.85 eV for Ag2 Ca (VO3) 4 to 3.02 eV for Na2 Ca (VO3) 4. The prospects of these compounds as advanced materials for detectors of photon and corpuscular radiation as well as for color correction of light emission sources such as lamp and light emitting diode sources are discussed.

UR - http://www.scopus.com/inward/record.url?scp=44349172351&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.77.174113

DO - 10.1103/PhysRevB.77.174113

M3 - Article

AN - SCOPUS:44349172351

VL - 77

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

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M1 - 174113

ER -