skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Tunability of electronic and optical properties of the Ba–Zr–S system via dimensional reduction


Not provided.

; ORCiD logo
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
DOE Contract Number:  
Resource Type:
Journal Article
Journal Name:
European Physical Journal. B, Condensed Matter and Complex Systems
Additional Journal Information:
Journal Volume: 91; Journal Issue: 8; Journal ID: ISSN 1434-6028
Country of Publication:
United States

Citation Formats

Li, Yuwei, and Singh, David J. Tunability of electronic and optical properties of the Ba–Zr–S system via dimensional reduction. United States: N. p., 2018. Web. doi:10.1140/epjb/e2018-90125-6.
Li, Yuwei, & Singh, David J. Tunability of electronic and optical properties of the Ba–Zr–S system via dimensional reduction. United States. doi:10.1140/epjb/e2018-90125-6.
Li, Yuwei, and Singh, David J. Wed . "Tunability of electronic and optical properties of the Ba–Zr–S system via dimensional reduction". United States. doi:10.1140/epjb/e2018-90125-6.
title = {Tunability of electronic and optical properties of the Ba–Zr–S system via dimensional reduction},
author = {Li, Yuwei and Singh, David J.},
abstractNote = {Not provided.},
doi = {10.1140/epjb/e2018-90125-6},
journal = {European Physical Journal. B, Condensed Matter and Complex Systems},
issn = {1434-6028},
number = 8,
volume = 91,
place = {United States},
year = {2018},
month = {8}

Works referenced in this record:

Chalcogenide perovskites – an emerging class of ionic semiconductors
journal, April 2016

Bandgap Control via Structural and Chemical Tuning of Transition Metal Perovskite Chalcogenides
journal, December 2016

Chalcogenide Perovskites for Photovoltaics
journal, December 2014

  • Sun, Yi-Yang; Agiorgousis, Michael L.; Zhang, Peihong
  • Nano Letters, Vol. 15, Issue 1
  • DOI: 10.1021/nl504046x

Alloying and Defect Control within Chalcogenide Perovskites for Optimized Photovoltaic Application
journal, January 2016

Band offsets of wide-band-gap oxides and implications for future electronic devices
journal, January 2000

  • Robertson, John
  • Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 18, Issue 3
  • DOI: 10.1116/1.591472

Giant optical anisotropy in a quasi-one-dimensional crystal
journal, June 2018

Effect of quantum-well structures on the thermoelectric figure of merit
journal, May 1993

Designing high-performance layered thermoelectric materials through orbital engineering
journal, March 2016

  • Zhang, Jiawei; Song, Lirong; Madsen, Georg K. H.
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms10892

Electronic fitness function for screening semiconductors as thermoelectric materials
journal, November 2017

Large thermoelectric power in NaCo 2 O 4 single crystals
journal, November 1997

Tuning optical properties of transparent conducting barium stannate by dimensional reduction
journal, January 2015

  • Li, Yuwei; Zhang, Lijun; Ma, Yanming
  • APL Materials, Vol. 3, Issue 1
  • DOI: 10.1063/1.4906785

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
journal, November 2012

  • Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras
  • Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712
  • DOI: 10.1038/nnano.2012.193

Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene
journal, March 2013

  • Butler, Sheneve Z.; Hollen, Shawna M.; Cao, Linyou
  • ACS Nano, Vol. 7, Issue 4, p. 2898-2926
  • DOI: 10.1021/nn400280c

A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface
journal, January 2004

High Three-Dimensional Thermoelectric Performance from Low-Dimensional Bands
journal, April 2013

New compounds of the K 2 NIF 4 type
journal, August 1957

Sulphides with the GdFeO 3 structure
journal, October 1980

  • Lelieveld, R.; IJdo, D. J. W.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 36, Issue 10
  • DOI: 10.1107/S056774088000845X

Preparation and crystal structures of new barium zirconium sulfides, Ba2ZrS4 and Ba3Zr2S7
journal, June 1991

Structural reinvestigation of Ba3Zr2S7 by single-crystal X-ray diffraction
journal, February 1994

  • Chen, B. H.; Eichhorn, B.; Wong-Ng, W.
  • Acta Crystallographica Section C Crystal Structure Communications, Vol. 50, Issue 2
  • DOI: 10.1107/S0108270193008972

Preparation of New Ba4M3S10 Phases (M = Zr, Hf) and Single Crystal Structure Determination of Ba4Zr3S10
journal, March 1993

  • Chen, Bai-Hao; Wong-Ng, Winnie; Eichhorn, Bryan W.
  • Journal of Solid State Chemistry, Vol. 103, Issue 1
  • DOI: 10.1006/jssc.1993.1080

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
journal, June 2009

Merits and limits of the modified Becke-Johnson exchange potential
journal, May 2011

Electronic structure calculations with the Tran-Blaha modified Becke-Johnson density functional
journal, November 2010

BoltzTraP. A code for calculating band-structure dependent quantities
journal, July 2006

Barium Sulfide under Pressure: Discovery of Metastable Polymorphs and Investigation of Electronic Properties on ab Initio Level
journal, August 2017

Protons in Oxysulfides, Oxysulfates, and Sulfides: A First-Principles Study of La 2 O 2 S, La 2 O 2 SO 4 , SrZrS 3 , and BaZrS 3
journal, October 2015

  • Polfus, Jonathan M.; Norby, Truls; Bredesen, Rune
  • The Journal of Physical Chemistry C, Vol. 119, Issue 42
  • DOI: 10.1021/acs.jpcc.5b08278

Thermoelectric properties of n -type SrTiO 3
journal, October 2016

  • Sun, Jifeng; Singh, David J.
  • APL Materials, Vol. 4, Issue 10
  • DOI: 10.1063/1.4952610

Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
journal, March 1961

  • Shockley, William; Queisser, Hans J.
  • Journal of Applied Physics, Vol. 32, Issue 3, p. 510-519
  • DOI: 10.1063/1.1736034