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

Abstract

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.

Authors:

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)

Publication Date:: Sun Feb 01 00:00:00 EST 2015

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

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

OSTI Identifier:: 1185703

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

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

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Solid State Chemistry

Additional Journal Information:: Journal Volume: 222; Journal Issue: C; Journal ID: ISSN 0022-4596

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; oxytelluride; single crystal growth; single crystal x-ray diffraction; layered structure; semiconductor

Citation Formats


                    Besara, T., Ramirez, D., Sun, J., Whalen, J. B., Tokumoto, T. D., McGill, S. A., Singh, D. J., and Siegrist, T. Ba2TeO: A new layered oxytelluride.  United States: N. p., 2015. 
Web.  doi:10.1016/j.jssc.2014.11.003.

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                    Besara, T., Ramirez, D., Sun, J., Whalen, J. B., Tokumoto, T. D., McGill, S. A., Singh, D. J., & Siegrist, T. Ba2TeO: A new layered oxytelluride.  United States.  https://doi.org/10.1016/j.jssc.2014.11.003

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                    Besara, T., Ramirez, D., Sun, J., Whalen, J. B., Tokumoto, T. D., McGill, S. A., Singh, D. J., and Siegrist, T. Sun .  
"Ba2TeO: A new layered oxytelluride".  United States.  https://doi.org/10.1016/j.jssc.2014.11.003.  https://www.osti.gov/servlets/purl/1185703.

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@article{osti_1185703,

  title        = {Ba2TeO: A new layered oxytelluride},

  author       = {Besara, T. and Ramirez, D. and Sun, J. and Whalen, J. B. and Tokumoto, T. D. and McGill, S. A. and Singh, D. J. and Siegrist, T.},

  abstractNote = {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.},

  doi          = {10.1016/j.jssc.2014.11.003},

  journal      = {Journal of Solid State Chemistry},

  number       = C,

  volume       = 222,

  place        = {United States},

  year         = {Sun Feb 01 00:00:00 EST 2015},

  month        = {Sun Feb 01 00:00:00 EST 2015}

}

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https://doi.org/10.1016/j.jssc.2014.11.003

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Band gap engineering, band edge emission, and p -type conductivity in wide-gap LaCuOS1−xSex oxychalcogenides
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Degenerate p-type conductivity in wide-gap LaCuOS1−xSex (x=0–1) epitaxial films
journal, February 2003

Tellurium-based II-VI compound semiconductors and heterostructures under strain
journal, June 1991

Semiconductor Nanocrystals: Structure, Properties, and Band Gap Engineering
journal, February 2010

Alloyed Semiconductor Quantum Dots: Tuning the Optical Properties without Changing the Particle Size
journal, June 2003

Uranium oxide telluride
journal, June 1964

Single crystal growth of some uranium tellurides
journal, September 1995

The crystal structure of U7Te12 and U2O2Te
journal, July 1971

Synthesis and crystal structure of a novel uranium oxytelluride U4O4Te3
journal, January 1995

On a study of novel uranium oxytelluride U4O4Te3
journal, February 1995

Über Oxidtelluride (M2O2Te) der leichten Lanthanide (M = La-Nd, Sm-Ho) im A-Typ mitanti-ThCr2Si2-Struktur
journal, November 1999

Optical, magnetic and electronic properties of Ln2O2Te (Ln=La, Sm and Gd)
journal, February 2008

A new oxytelluride: Perovskite and CsCl intergrowth in Ba3Yb2O5Te
journal, July 2013

CRYSTALS version 12: software for guided crystal structure analysis
journal, November 2003

Inhomogeneous Electron Gas
journal, November 1964

Electronic structure calculations of solids using the WIEN2k package for material sciences
journal, August 2002

A Dense Modification of BaO and Its Crystal Structure
journal, September 1971

The preparation and structures of the alkaline earth iron oxyhalides
journal, June 1991

High-pressure phase transitions and the equations of state of BaS and BaO
journal, March 1986

ZrCuSiAs: A “filled” PbFCl type
journal, October 1974

The crystal structure of superconducting LuNi2B2C and the related phase LuNiBC
journal, January 1994