Ba2TeO: A new layered oxytelluride

Besara, T.; Ramirez, D.; Sun, J.; Whalen, J. B.; Tokumoto, T. D.; McGill, S. A.; Singh, D. J.; Siegrist, T.

doi:10.1016/j.jssc.2014.11.003

Title: Ba₂TeO: A new layered oxytelluride

Journal Article · Sun Feb 01 00:00:00 EST 2015 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2014.11.003· OSTI ID:1185703

Besara, T. ^[1]; Ramirez, D. ^[2]; Sun, J. ^[3]; Whalen, J. B. ^[4]; Tokumoto, T. D. ^[1]; McGill, S. A. ^[1]; Singh, D. J. ^[5]; Siegrist, T. ^[2]

Condensed Matter Sciences Dept., Tallahassee, FL (United States)
Condensed Matter Sciences Dept., Tallahassee, FL (United States); Florida State Univ., Tallahassee, FL (United States)
Condensed Matter Sciences Dept., Tallahassee, FL (United States); Florida State Univ., Tallahassee, FL (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Condensed Matter Sciences Dept., Tallahassee, FL (United States); Specialized Crystal Processing, Inc., Tallahassee, FL (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Single crystals of the new semiconducting oxytelluride phase, Ba₂TeO, were synthesized from barium oxide powder and elemental tellurium in a molten barium metal flux. Ba2TeO crystallizes in tetragonal symmetry with space group P4/nmm (#129), a = 5.0337(1) angstrom, c = 9.9437(4) angstrom, Z = 2. The crystals were characterized by single crystal x-ray diffraction, heat capacity and optical measurements. The optical measurements along with electronic band structure calculations indicate semiconductor behavior with a band gap of 2.93 eV. Lastly, resistivity measurements show that Ba₂TeO is highly insulating.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Florida State Univ., Tallahassee, FL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; SC0008832

OSTI ID:: 1185703

Alternate ID(s):: OSTI ID: 1246685; OSTI ID: 1333507

Journal Information:: Journal of Solid State Chemistry, Vol. 222, Issue C; ISSN 0022-4596

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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References (40)

Opto-electronic properties and light-emitting device application of widegap layered oxychalcogenides: LaCuO Ch ( Ch = chalcogen) and La ₂ CdO ₂ Se ₂ Hiramatsu, Hidenori; Kamioka, Hayato; Ueda, Kazushige physica status solidi (a), Vol. 203, Issue 11 https://doi.org/10.1002/pssa.200669665	journal	September 2006
Crystal Structures, Optoelectronic Properties, and Electronic Structures of Layered Oxychalcogenides M CuO Ch ( M = Bi, La; Ch = S, Se, Te): Effects of Electronic Configurations of M ³⁺ Ions Hiramatsu, Hidenori; Yanagi, Hiroshi; Kamiya, Toshio Chemistry of Materials, Vol. 20, Issue 1 https://doi.org/10.1021/cm702303r	journal	January 2008
The puzzle of high temperature superconductivity in layered iron pnictides and chalcogenides Johnston, David C. Advances in Physics, Vol. 59, Issue 6 https://doi.org/10.1080/00018732.2010.513480	journal	October 2010
Layered oxychalcogenide in the Bi–Cu–O–Se system as good thermoelectric materials Barreteau, C.; Pan, L.; Amzallag, E. Semiconductor Science and Technology, Vol. 29, Issue 6 https://doi.org/10.1088/0268-1242/29/6/064001	journal	May 2014
A copper-containing oxytelluride as a promising thermoelectric material for waste heat recovery Vaqueiro, Paz; Guélou, Gabin; Stec, Maria J. Mater. Chem. A, Vol. 1, Issue 3 https://doi.org/10.1039/C2TA00878E	journal	January 2013
Electronic structures and thermoelectric properties of layered BiCuOCh oxychalcogenides (Ch = S, Se and Te): first-principles calculations Zou, Daifeng; Xie, Shuhong; Liu, Yunya Journal of Materials Chemistry A, Vol. 1, Issue 31 https://doi.org/10.1039/c3ta11222e	journal	January 2013
OXYCHALCOGENIDES AS NEW EFFICIENT p-TYPE THERMOELECTRIC MATERIALS Barreteau, Celine; Pan, Lin; Pei, Yan-Ling Functional Materials Letters, Vol. 06, Issue 05 https://doi.org/10.1142/S1793604713400079	journal	October 2013
Frontier of transparent oxide semiconductors Ohta, Hiromichi; Nomura, Kenji; Hiramatsu, Hidenori Solid-State Electronics, Vol. 47, Issue 12 https://doi.org/10.1016/S0038-1101(03)00208-9	journal	December 2003
Recent progress in transparent oxide semiconductors: Materials and device application Hosono, Hideo Thin Solid Films, Vol. 515, Issue 15 https://doi.org/10.1016/j.tsf.2006.12.125	journal	May 2007
Electronic Structures and Device Applications of Transparent Oxide Semiconductors: What Is the Real Merit of Oxide Semiconductors? Kamiya, Toshio; Hosono, Hideo International Journal of Applied Ceramic Technology, Vol. 2, Issue 4 https://doi.org/10.1111/j.1744-7402.2005.02033.x	journal	July 2005
Transparent p -type semiconductor: LaCuOS layered oxysulfide Ueda, K.; Inoue, S.; Hirose, S. Applied Physics Letters, Vol. 77, Issue 17 https://doi.org/10.1063/1.1319507	journal	October 2000
Two-dimensional electronic structure and multiple excitonic states in layered oxychalcogenide semiconductors, LaCuOCh (Ch=S, Se, Te): Optical properties and relativistic ab initio study Kamiya, Toshio; Ueda, Kazushige; Hiramatsu, Hidenori Thin Solid Films, Vol. 486, Issue 1-2 https://doi.org/10.1016/j.tsf.2004.11.235	journal	August 2005
Wide-gap layered oxychalcogenide semiconductors: Materials, electronic structures and optoelectronic properties Ueda, Kazushige; Hiramatsu, Hidenori; Hirano, Masahiro Thin Solid Films, Vol. 496, Issue 1 https://doi.org/10.1016/j.tsf.2005.08.268	journal	February 2006
Electronic and optical properties of mixed anion layered oxychalcogenide semiconductors: An ab initio study Ramasubramanian, S.; Rajagopalan, M.; Kumar, J. Journal of Applied Physics, Vol. 106, Issue 2 https://doi.org/10.1063/1.3184345	journal	July 2009
Synthesis, structure, and optical properties of BiCuOCh (Ch=S, Se, and Te) Richard, A. P.; Russell, J. A.; Zakutayev, A. Journal of Solid State Chemistry, Vol. 187 https://doi.org/10.1016/j.jssc.2011.11.013	journal	March 2012
Preparation and crystal structure analysis and physical properties of (LaO)CuTe Ohki, Y.; Takase, K.; Takahashi, Y. Journal of Alloys and Compounds, Vol. 408-412 https://doi.org/10.1016/j.jallcom.2005.04.085	journal	February 2006
Syntheses, crystal and electronic structure, and some optical and transport properties of LnCuOTe (Ln=La, Ce, Nd) Liu, Min Ling; Wu, Li Bin; Huang, Fu Qiang Journal of Solid State Chemistry, Vol. 180, Issue 1 https://doi.org/10.1016/j.jssc.2006.09.014	journal	January 2007
Structures, Physical Properties, and Chemistry of Layered Oxychalcogenides and Oxypnictides Clarke, Simon J.; Adamson, Paul; Herkelrath, Sebastian J. C. Inorganic Chemistry, Vol. 47, Issue 19 https://doi.org/10.1021/ic8009964	journal	October 2008
Excitonic properties related to valence band levels split by spin–orbit interaction in layered oxychalcogenide LaCuOCh(Ch=S,Se) Kamioka, Hayato; Hiramatsu, Hidenori; Hirano, Masahiro Journal of Luminescence, Vol. 112, Issue 1-4 https://doi.org/10.1016/j.jlumin.2004.09.085	journal	April 2005
Band gap engineering, band edge emission, and p -type conductivity in wide-gap LaCuOS1−xSex oxychalcogenides Ueda, Kazushige; Hosono, Hideo Journal of Applied Physics, Vol. 91, Issue 7 https://doi.org/10.1063/1.1456240	journal	April 2002
Degenerate p-type conductivity in wide-gap LaCuOS1−xSex (x=0–1) epitaxial films Hiramatsu, Hidenori; Ueda, Kazushige; Ohta, Hiromichi Applied Physics Letters, Vol. 82, Issue 7 https://doi.org/10.1063/1.1544643	journal	February 2003
Tellurium-based II-VI compound semiconductors and heterostructures under strain Gil, B.; Dunstan, D. J. Semiconductor Science and Technology, Vol. 6, Issue 6 https://doi.org/10.1088/0268-1242/6/6/003	journal	June 1991
Semiconductor Nanocrystals: Structure, Properties, and Band Gap Engineering Smith, Andrew M.; Nie, Shuming Accounts of Chemical Research, Vol. 43, Issue 2 https://doi.org/10.1021/ar9001069	journal	February 2010
Alloyed Semiconductor Quantum Dots: Tuning the Optical Properties without Changing the Particle Size Bailey, Robert E.; Nie, Shuming Journal of the American Chemical Society, Vol. 125, Issue 23, p. 7100-7106 https://doi.org/10.1021/ja035000o	journal	June 2003
Uranium oxide telluride Klein Haneveld, A. J.; Jellinek, F. Journal of Inorganic and Nuclear Chemistry, Vol. 26, Issue 6 https://doi.org/10.1016/0022-1902(64)80277-3	journal	June 1964
Single crystal growth of some uranium tellurides Shlyk, L.; Ste¸pień-Damm, J.; Troć, R. Journal of Crystal Growth, Vol. 154, Issue 3-4 https://doi.org/10.1016/0022-0248(95)00286-3	journal	September 1995
The crystal structure of U7Te12 and U2O2Te Breeze, E. W.; Brett, N. H. Journal of Nuclear Materials, Vol. 40, Issue 1 https://doi.org/10.1016/0022-3115(71)90122-X	journal	July 1971
Synthesis and crystal structure of a novel uranium oxytelluride U4O4Te3 Noël, H.; Potel, M.; Shlyk, L. Journal of Alloys and Compounds, Vol. 217, Issue 1 https://doi.org/10.1016/0925-8388(94)01301-W	journal	January 1995
On a study of novel uranium oxytelluride U4O4Te3 Kaczorowski, D.; Troć, R.; Shlyk, L. Journal of Magnetism and Magnetic Materials, Vol. 140-144 https://doi.org/10.1016/0304-8853(94)00599-0	journal	February 1995
Über Oxidtelluride (M2O2Te) der leichten Lanthanide (M = La-Nd, Sm-Ho) im A-Typ mitanti-ThCr2Si2-Struktur Weber, Frank A.; Schleid, Thomas Zeitschrift für anorganische und allgemeine Chemie, Vol. 625, Issue 11 https://doi.org/10.1002/(SICI)1521-3749(199911)625:11<1833::AID-ZAAC1833>3.0.CO;2-8	journal	November 1999
Optical, magnetic and electronic properties of Ln2O2Te (Ln=La, Sm and Gd) Llanos, Jaime; Conejeros, Sergio; Cortés, Rodrigo Materials Research Bulletin, Vol. 43, Issue 2 https://doi.org/10.1016/j.materresbull.2007.03.008	journal	February 2008
A new oxytelluride: Perovskite and CsCl intergrowth in Ba3Yb2O5Te Whalen, J. B.; Besara, T.; Vasquez, R. Journal of Solid State Chemistry, Vol. 203 https://doi.org/10.1016/j.jssc.2013.04.030	journal	July 2013
CRYSTALS version 12: software for guided crystal structure analysis Betteridge, Paul W.; Carruthers, J. Robert; Cooper, Richard I. Journal of Applied Crystallography, Vol. 36, Issue 6 https://doi.org/10.1107/S0021889803021800	journal	November 2003
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Electronic structure calculations of solids using the WIEN2k package for material sciences Schwarz, K.; Blaha, P.; Madsen, G. K. H. Computer Physics Communications, Vol. 147, Issue 1-2 https://doi.org/10.1016/S0010-4655(02)00206-0	journal	August 2002
A Dense Modification of BaO and Its Crystal Structure Liu, Lin‐gun Journal of Applied Physics, Vol. 42, Issue 10 https://doi.org/10.1063/1.1659673	journal	September 1971
The preparation and structures of the alkaline earth iron oxyhalides Ackerman, John F. Journal of Solid State Chemistry, Vol. 92, Issue 2 https://doi.org/10.1016/0022-4596(91)90356-M	journal	June 1991
High-pressure phase transitions and the equations of state of BaS and BaO Weir, Samuel T.; Vohra, Yogesh K.; Ruoff, Arthur L. Physical Review B, Vol. 33, Issue 6 https://doi.org/10.1103/PhysRevB.33.4221	journal	March 1986
ZrCuSiAs: A “filled” PbFCl type Johnson, V.; Jeitschko, W. Journal of Solid State Chemistry, Vol. 11, Issue 2 https://doi.org/10.1016/0022-4596(74)90111-X	journal	October 1974
The crystal structure of superconducting LuNi2B2C and the related phase LuNiBC Siegrist, T.; Zandbergen, H. W.; Cava, R. J. Nature, Vol. 367, Issue 6460 https://doi.org/10.1038/367254a0	journal	January 1994

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Title: Ba2TeO: A new layered oxytelluride

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Title: Ba₂TeO: A new layered oxytelluride