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From Yellow to Black: New Semiconducting Ba Chalcogeno-Germanates

  • Abdeljalil Assoud , Navid Soheilnia and Holger Kleinke EMAIL logo
Published/Copyright: June 2, 2014
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Zeitschrift für Naturforschung B
From the journal Zeitschrift für Naturforschung B Volume 59 Issue 9

The new germanates Ba2GeSe4−δ Teδ (δ < 2.5) were prepared by reacting the elements under exclusion of air at 800°C, followed by slow cooling to room temperature. These germanates form the Sr2GeS4 type, monoclinic space group P21/m, with lattice dimensions of a = 699.58(4), b = 709.38(4), c = 917.38(6) pm, β = 109.135(1)◦, V = 430.11(4) ・ 106 pm3 (Z = 2) for Ba2GeSe4. The structure contains isolated GeSe4 tetrahedra. The oxidation states are assigned to be BaII, GeIV, and Se−II. The yellow color of this ortho-seleno-germanate is indicative of semiconducting behavior with an activation energy of 2.6 - 3.0 eV, and the black appearance of the seleno-telluro-germanates points towards gaps < 1.7 eV. Electronic structure calculations based on the LMTO approximation resulted in smaller gaps of 1.7 - 0.8 eV, a tendency that is typical for this calculation method.

Keyword: s Electronic Structure; Semiconductor; Germanium; Selenium; Tellurium
Received: 2004-6-30
Published Online: 2014-6-2
Published in Print: 2004-9-1

© 1946 – 2014: Verlag der Zeitschrift für Naturforschung

Articles in the same Issue

  1. Antiferromagnetic Ordering in GdRhIn5
  2. Crystal Structure and Thermal Behaviour of Er2(SeO4)3 · 8H2O
  3. Synthesis and Crystal Structure of a New Oxysulfide Gd6+xTi4 –xS10 – yO6+y (where x ~ 0.04 and y ~ 0.27)
  4. On the Silicides EuIr2Si2 and Lu5Si3
  5. From Yellow to Black: New Semiconducting Ba Chalcogeno-Germanates
  6. Synthesis and Crystal Structure of the Tetra-nickel Substituted [Ni4(H2O)2(AsW9O34)2]10- Polyoxoanion
  7. Quaternäre Strontium-Kupfer(I)-Lanthanoid(III)-Selenide mit Cer und Praseodym: SrCuCeSe3 und SrCuPrSe3, ein ungleiches Geschwisterpaar / Quaternary Strontium Copper(I) Lanthanoid(III) Selenides with Cerium and Praseodymium: SrCuCeSe3 and SrCuPrSe3, Unequal Brother and Sister
  8. Synthesis, Crystal Structure and Thermal Properties of Silver(I) Bromide Ethylenediamine Coordination Polymers
  9. Pt3Ga: Thermodynamics and Nonstoichiometry
  10. Low Dimensional Materials: Syntheses, Structures, and Optical Properties of Rb2CuTaS4, Rb2CuTaSe4, RbCu2TaSe4, K3Ag3Ta2Se8, and Rb3AgTa2Se12
  11. Chirale Erkennung bei Tris(diimin)-Metallkomplexen, 10. Vergleich der intermolekularen Wechselwirkungs- und Packungsmuster in der Reihe [Cr(bpy)3]n+(PF6)n (n = 0 – 3) / Chiral Recognition among Tris(diimine)-metal Complexes, 10. Comparison of Intermolecular Interactions and Packing Patterns in the Series [Cr(bpy)3]n+(PF6)n (n = 0–3)
  12. “Weak” OH···πHydrogen Bonds in the Structures of Two Phenols
  13. Phase Transitions and Distortion of [BiCl6]3– Octahedra in (C3H5NH3)3[BiCl6] – DSC and Single-Crystal X-Ray Diffraction Studies
  14. Crystal and Molecular Structure of [(η5-C5H4SiMe3)2LuCl]2: A Precursor for the Production of Lu2O3 Films
  15. Syntheses and Characterization of Two New Lead(II) Acetate Complexes, Pb(L)(CH3COO)2, L = 2,2':6',2''-Terpyridine (tpy) and 2,4,6-Tris(2-pyridyl)- 1,3,5-Triazine (trz), Crystal Structure of Pb(tpy)(CH3COO)2
  16. Carbazolylsilane: Synthese und Kristallstrukturen / Carbazolylsilanes: Synthesis and Crystal Structures
  17. The Pd(II) Complex of a N,N’-Diallylbenzimidazol-2-ylidene Ligand
  18. Reduction of 1-Hydroxyimino-1,2,3,4-tetrahydrocarbazoles by Metal and Baker’s Yeast – Syntheses of Aminocarbazole Derivatives
  19. Direct Conversion of an ortho-Allylphenol into a Chlorosulfonyl-3-methyl-1,2-benzoxathiin 2,2-Dioxide
  20. A New Triterpenoid Saponin and Two Neolignans from Ligularia veitchiana
  21. Two New Tirucallane Triterpenes with Six-Membered Hemiacetal from Amoora dasyclada
  22. Crystal Structure of N-3-Pyridinyl-methanesulfonamide and trans-Diiodobis(N-3-pyridinyl-methanesulfonamide)platinum(II)
https://doi.org/10.1515/znb-2004-0905
Keywords for this article
s Electronic Structure; Semiconductor; Germanium; Selenium; Tellurium

Articles in the same Issue

  1. Antiferromagnetic Ordering in GdRhIn5
  2. Crystal Structure and Thermal Behaviour of Er2(SeO4)3 · 8H2O
  3. Synthesis and Crystal Structure of a New Oxysulfide Gd6+xTi4 –xS10 – yO6+y (where x ~ 0.04 and y ~ 0.27)
  4. On the Silicides EuIr2Si2 and Lu5Si3
  5. From Yellow to Black: New Semiconducting Ba Chalcogeno-Germanates
  6. Synthesis and Crystal Structure of the Tetra-nickel Substituted [Ni4(H2O)2(AsW9O34)2]10- Polyoxoanion
  7. Quaternäre Strontium-Kupfer(I)-Lanthanoid(III)-Selenide mit Cer und Praseodym: SrCuCeSe3 und SrCuPrSe3, ein ungleiches Geschwisterpaar / Quaternary Strontium Copper(I) Lanthanoid(III) Selenides with Cerium and Praseodymium: SrCuCeSe3 and SrCuPrSe3, Unequal Brother and Sister
  8. Synthesis, Crystal Structure and Thermal Properties of Silver(I) Bromide Ethylenediamine Coordination Polymers
  9. Pt3Ga: Thermodynamics and Nonstoichiometry
  10. Low Dimensional Materials: Syntheses, Structures, and Optical Properties of Rb2CuTaS4, Rb2CuTaSe4, RbCu2TaSe4, K3Ag3Ta2Se8, and Rb3AgTa2Se12
  11. Chirale Erkennung bei Tris(diimin)-Metallkomplexen, 10. Vergleich der intermolekularen Wechselwirkungs- und Packungsmuster in der Reihe [Cr(bpy)3]n+(PF6)n (n = 0 – 3) / Chiral Recognition among Tris(diimine)-metal Complexes, 10. Comparison of Intermolecular Interactions and Packing Patterns in the Series [Cr(bpy)3]n+(PF6)n (n = 0–3)
  12. “Weak” OH···πHydrogen Bonds in the Structures of Two Phenols
  13. Phase Transitions and Distortion of [BiCl6]3– Octahedra in (C3H5NH3)3[BiCl6] – DSC and Single-Crystal X-Ray Diffraction Studies
  14. Crystal and Molecular Structure of [(η5-C5H4SiMe3)2LuCl]2: A Precursor for the Production of Lu2O3 Films
  15. Syntheses and Characterization of Two New Lead(II) Acetate Complexes, Pb(L)(CH3COO)2, L = 2,2':6',2''-Terpyridine (tpy) and 2,4,6-Tris(2-pyridyl)- 1,3,5-Triazine (trz), Crystal Structure of Pb(tpy)(CH3COO)2
  16. Carbazolylsilane: Synthese und Kristallstrukturen / Carbazolylsilanes: Synthesis and Crystal Structures
  17. The Pd(II) Complex of a N,N’-Diallylbenzimidazol-2-ylidene Ligand
  18. Reduction of 1-Hydroxyimino-1,2,3,4-tetrahydrocarbazoles by Metal and Baker’s Yeast – Syntheses of Aminocarbazole Derivatives
  19. Direct Conversion of an ortho-Allylphenol into a Chlorosulfonyl-3-methyl-1,2-benzoxathiin 2,2-Dioxide
  20. A New Triterpenoid Saponin and Two Neolignans from Ligularia veitchiana
  21. Two New Tirucallane Triterpenes with Six-Membered Hemiacetal from Amoora dasyclada
  22. Crystal Structure of N-3-Pyridinyl-methanesulfonamide and trans-Diiodobis(N-3-pyridinyl-methanesulfonamide)platinum(II)
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