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Title: Strain sensitivity of band gaps of Sn-containing semiconductors

Authors:
; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center on Nanostructuring for Efficient Energy Conversion (CNEEC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1370692
DOE Contract Number:  
SC0001060
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 91; Journal Issue: 4; Related Information: CNEEC partners with Stanford University (lead); Carnegie Institution at Stanford; Technical University of Denmark; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
catalysis (heterogeneous), solar (fuels), photosynthesis (natural and artificial), bio-inspired, electrodes - solar, defects, charge transport, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Li, Hong, Castelli, Ivano E., Thygesen, Kristian S., and Jacobsen, Karsten W. Strain sensitivity of band gaps of Sn-containing semiconductors. United States: N. p., 2015. Web. doi:10.1103/PhysRevB.91.045204.
Li, Hong, Castelli, Ivano E., Thygesen, Kristian S., & Jacobsen, Karsten W. Strain sensitivity of band gaps of Sn-containing semiconductors. United States. doi:10.1103/PhysRevB.91.045204.
Li, Hong, Castelli, Ivano E., Thygesen, Kristian S., and Jacobsen, Karsten W. Thu . "Strain sensitivity of band gaps of Sn-containing semiconductors". United States. doi:10.1103/PhysRevB.91.045204.
@article{osti_1370692,
title = {Strain sensitivity of band gaps of Sn-containing semiconductors},
author = {Li, Hong and Castelli, Ivano E. and Thygesen, Kristian S. and Jacobsen, Karsten W.},
abstractNote = {},
doi = {10.1103/PhysRevB.91.045204},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 4,
volume = 91,
place = {United States},
year = {2015},
month = {1}
}

Works referenced in this record:

Nonlinear variations in the electronic structure of II–VI and III–V wurtzite semiconductors with biaxial strain
journal, April 2011

  • Yang, Shenyuan; Prendergast, David; Neaton, Jeffrey B.
  • Applied Physics Letters, Vol. 98, Issue 15
  • DOI: 10.1063/1.3578193

Long-term superelastic cycling at nano-scale in Cu-Al-Ni shape memory alloy micropillars
journal, January 2014

  • San Juan, J.; Gómez-Cortés, J. F.; López, G. A.
  • Applied Physics Letters, Vol. 104, Issue 1
  • DOI: 10.1063/1.4860951

Bandgap calculations and trends of organometal halide perovskites
journal, August 2014

  • Castelli, Ivano E.; García-Lastra, Juan María; Thygesen, Kristian S.
  • APL Materials, Vol. 2, Issue 8
  • DOI: 10.1063/1.4893495

Role of the plasmon-pole model in the G W approximation
journal, September 2013


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations
journal, August 2014

  • Castelli, Ivano E.; Hüser, Falco; Pandey, Mohnish
  • Advanced Energy Materials, Vol. 5, Issue 2
  • DOI: 10.1002/aenm.201400915

Tuning Semiconductor Band Edge Energies for Solar Photocatalysis via Surface Ligand Passivation
journal, December 2011

  • Yang, Shenyuan; Prendergast, David; Neaton, Jeffrey B.
  • Nano Letters, Vol. 12, Issue 1
  • DOI: 10.1021/nl203669k

Single-layer MoS2 as an efficient photocatalyst
journal, January 2013

  • Li, Yunguo; Li, Yan-Ling; Araujo, Carlos Moyses
  • Catalysis Science & Technology, Vol. 3, Issue 9
  • DOI: 10.1039/c3cy00207a

Self-consistent approximation to the Kohn-Sham exchange potential
journal, March 1995

  • Gritsenko, Oleg; van Leeuwen, Robert; van Lenthe, Erik
  • Physical Review A, Vol. 51, Issue 3
  • DOI: 10.1103/PhysRevA.51.1944

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
journal, June 2010


Layer-Dependent Electrocatalysis of MoS 2 for Hydrogen Evolution
journal, January 2014

  • Yu, Yifei; Huang, Sheng-Yang; Li, Yanpeng
  • Nano Letters, Vol. 14, Issue 2
  • DOI: 10.1021/nl403620g

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008


Progress, challenge and perspective of heterogeneous photocatalysts
journal, January 2013


Band Offsets at the Si / SiO 2 Interface from Many-Body Perturbation Theory
journal, May 2008


Solar Water Splitting Cells
journal, November 2010

  • Walter, Michael G.; Warren, Emily L.; McKone, James R.
  • Chemical Reviews, Vol. 110, Issue 11, p. 6446-6473
  • DOI: 10.1021/cr1002326

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

Zn-Doped CdS Nanoarchitectures Prepared by Hydrothermal Synthesis: Mechanism for Enhanced Photocatalytic Activity and Stability under Visible Light
journal, April 2012

  • Yang, Fan; Yan, Nan-Nan; Huang, Sheng
  • The Journal of Physical Chemistry C, Vol. 116, Issue 16
  • DOI: 10.1021/jp300939q

Doping of WO 3 for Photocatalytic Water Splitting: Hints from Density Functional Theory
journal, April 2012

  • Wang, Fenggong; Di Valentin, Cristiana; Pacchioni, Gianfranco
  • The Journal of Physical Chemistry C, Vol. 116, Issue 16
  • DOI: 10.1021/jp300867j

Metal-insulator transition in Kohn-Sham theory and quasiparticle theory
journal, March 1989


Strain-Induced Band Gap Modification in Coherent Core/Shell Nanostructures
journal, August 2010

  • Yang, Shenyuan; Prendergast, David; Neaton, Jeffrey B.
  • Nano Letters, Vol. 10, Issue 8
  • DOI: 10.1021/nl101999p

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting
journal, July 2013

  • Zhuang, Houlong L.; Hennig, Richard G.
  • Chemistry of Materials, Vol. 25, Issue 15
  • DOI: 10.1021/cm401661x

Quasiparticle GW calculations for solids, molecules, and two-dimensional materials
journal, June 2013


Structure and band gap tuning of transparent (Ba 1−x Sr x )SnO 3 thin films epitaxially grown on MgO substrates
journal, May 2012


Stability and bandgaps of layered perovskites for one- and two-photon water splitting
journal, October 2013


Real-space grid implementation of the projector augmented wave method
journal, January 2005


Kohn-Sham potential with discontinuity for band gap materials
journal, September 2010


Significant Reduction in NiO Band Gap Upon Formation of Li x Ni 1− x O alloys: Applications To Solar Energy Conversion
journal, November 2013

  • Alidoust, Nima; Toroker, Maytal Caspary; Keith, John A.
  • ChemSusChem, Vol. 7, Issue 1
  • DOI: 10.1002/cssc.201300595