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

Title: Intermediate bands in type-II silicon clathrate with Cu and Ag guest atoms

Abstract

Not provided.

Authors:
; ; ;
Publication Date:
Research Org.:
Colorado School of Mines, Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1535914
DOE Contract Number:  
SC0006433
Resource Type:
Journal Article
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 95; Journal Issue: 19; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
Materials Science; Physics

Citation Formats

Huang, Zhaohui, Li, Huashan, Lusk, Mark T., and Wu, Zhigang. Intermediate bands in type-II silicon clathrate with Cu and Ag guest atoms. United States: N. p., 2017. Web. doi:10.1103/physrevb.95.195208.
Huang, Zhaohui, Li, Huashan, Lusk, Mark T., & Wu, Zhigang. Intermediate bands in type-II silicon clathrate with Cu and Ag guest atoms. United States. doi:10.1103/physrevb.95.195208.
Huang, Zhaohui, Li, Huashan, Lusk, Mark T., and Wu, Zhigang. Mon . "Intermediate bands in type-II silicon clathrate with Cu and Ag guest atoms". United States. doi:10.1103/physrevb.95.195208.
@article{osti_1535914,
title = {Intermediate bands in type-II silicon clathrate with Cu and Ag guest atoms},
author = {Huang, Zhaohui and Li, Huashan and Lusk, Mark T. and Wu, Zhigang},
abstractNote = {Not provided.},
doi = {10.1103/physrevb.95.195208},
journal = {Physical Review B},
issn = {2469-9950},
number = 19,
volume = 95,
place = {United States},
year = {2017},
month = {5}
}

Works referenced in this record:

Structural Principles of Semiconducting Group 14 Clathrate Frameworks
journal, March 2011

  • Karttunen, Antti J.; Fässler, Thomas F.; Linnolahti, Mikko
  • Inorganic Chemistry, Vol. 50, Issue 5
  • DOI: 10.1021/ic102178d

Temperature dependent structural and transport properties of the type II clathrates A8Na16E136 (A=Cs or Rb and E=Ge or Si)
journal, June 2002

  • Nolas, G. S.; Vanderveer, D. G.; Wilkinson, A. P.
  • Journal of Applied Physics, Vol. 91, Issue 11
  • DOI: 10.1063/1.1471370

Raman scattering study of stoichiometric Si and Ge type II clathrates
journal, December 2002

  • Nolas, G. S.; Kendziora, C. A.; Gryko, Jan
  • Journal of Applied Physics, Vol. 92, Issue 12
  • DOI: 10.1063/1.1523146

Theoretical Study of the Lattice Thermal Conductivity in Ge Framework Semiconductors
journal, March 2001


Thermal conductivity of elemental crystalline silicon clathrate Si136
journal, February 2003

  • Nolas, G. S.; Beekman, M.; Gryko, J.
  • Applied Physics Letters, Vol. 82, Issue 6
  • DOI: 10.1063/1.1544640

Glasslike versus crystalline thermal conductivity in carrier-tuned Ba 8 Ga 16 X 30 clathrates ( X = Ge , Sn )
journal, September 2006


Glasslike Heat Conduction in High-Mobility Crystalline Semiconductors
journal, January 1999


Superconductivity in the Silicon Clathrate Compound (Na,Ba) x S i 46
journal, February 1995


High-Pressure Synthesis of a New Silicon Clathrate Superconductor, Ba 8 Si 46
journal, January 2000

  • Yamanaka, Shoji; Enishi, Eiji; Fukuoka, Hiroshi
  • Inorganic Chemistry, Vol. 39, Issue 1
  • DOI: 10.1021/ic990778p

Structural, transport, magnetic, and thermal properties of Eu 8 Ga 16 Ge 30
journal, November 2001


Magnetic and electronic properties of Eu 4 Sr 4 Ga 16 Ge 30
journal, May 2006


Silicon clathrates as anode materials for lithium ion batteries?
journal, January 2013

  • Yang, Jianjun; Tse, John S.
  • Journal of Materials Chemistry A, Vol. 1, Issue 26
  • DOI: 10.1039/c3ta11050h

Prediction of Giant Thermoelectric Power Factor in Type-VIII Clathrate Si46
journal, November 2014

  • Norouzzadeh, Payam; Myles, Charles W.; Vashaee, Daryoosh
  • Scientific Reports, Vol. 4, Issue 1
  • DOI: 10.1038/srep07028

Synthesis and optical band gaps of alloyed Si–Ge type II clathrates
journal, January 2014

  • Baranowski, Lauryn L.; Krishna, Lakshmi; Martinez, Aaron D.
  • J. Mater. Chem. C, Vol. 2, Issue 17
  • DOI: 10.1039/C3TC32102A

Synthesis of Group IV Clathrates for Photovoltaics
journal, October 2013

  • Martinez, Aaron D.; Krishna, Lakshmi; Baranowski, Lauryn L.
  • IEEE Journal of Photovoltaics, Vol. 3, Issue 4
  • DOI: 10.1109/JPHOTOV.2013.2276478

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

Increasing the Efficiency of Ideal Solar Cells by Photon Induced Transitions at Intermediate Levels
journal, June 1997


Understanding intermediate-band solar cells
journal, February 2012

  • Luque, Antonio; Martí, Antonio; Stanley, Colin
  • Nature Photonics, Vol. 6, Issue 3
  • DOI: 10.1038/nphoton.2012.1

Intermediate-band photovoltaic solar cell based on ZnTe:O
journal, July 2009

  • Wang, Weiming; Lin, Albert S.; Phillips, Jamie D.
  • Applied Physics Letters, Vol. 95, Issue 1
  • DOI: 10.1063/1.3166863

Inorganic clathrate-II materials of group 14: synthetic routes and physical properties
journal, January 2008

  • Beekman, M.; Nolas, G. S.
  • J. Mater. Chem., Vol. 18, Issue 8
  • DOI: 10.1039/B706808E

Low-density framework form of crystalline silicon with a wide optical band gap
journal, September 2000


Synthesis and X-Ray Characterization of Silicon Clathrates
journal, July 1999

  • Ramachandran, Ganesh K.; Dong, Jianjun; Diefenbacher, Jason
  • Journal of Solid State Chemistry, Vol. 145, Issue 2
  • DOI: 10.1006/jssc.1999.8295

Structural characterisations of the NaxSi136 and Na8Si46 silicon clathrates using the Rietveld method
journal, January 1998

  • Reny, Edouard; Gravereau, Pierre; Cros, Christian
  • Journal of Materials Chemistry, Vol. 8, Issue 12
  • DOI: 10.1039/a804565h

Neue ternäre intermetallische Verbindungen mit Clathratstruktur: Ba8(T,Si)6Si40 und Ba6(T,Ge)6Ge40 mit T ≡ Ni, Pd, Pt, Cu, Ag, Au
journal, May 1991


Phase stability and chemical composition dependence of the thermoelectric properties of the type-I clathrate Ba8AlxSi46−x (8≤x≤15)
journal, May 2011

  • Tsujii, Naohito; Roudebush, John H.; Zevalkink, Alex
  • Journal of Solid State Chemistry, Vol. 184, Issue 5, p. 1293-1303
  • DOI: 10.1016/j.jssc.2011.03.038

An all‐electron numerical method for solving the local density functional for polyatomic molecules
journal, January 1990

  • Delley, B.
  • The Journal of Chemical Physics, Vol. 92, Issue 1
  • DOI: 10.1063/1.458452

From molecules to solids with the DMol3 approach
journal, November 2000

  • Delley, B.
  • The Journal of Chemical Physics, Vol. 113, Issue 18
  • DOI: 10.1063/1.1316015

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

Norm-Conserving Pseudopotentials
journal, November 1979


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

Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
journal, October 1986


Electronic excitations: density-functional versus many-body Green’s-function approaches
journal, June 2002


Ab initiomolecular dynamics for liquid metals
journal, January 1993


Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Implementation and performance of the frequency-dependent G W method within the PAW framework
journal, July 2006


Self-consistent G W calculations for semiconductors and insulators
journal, June 2007


Quasiparticle band structure based on a generalized Kohn-Sham scheme
journal, September 2007


Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections
journal, December 2007


A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
journal, December 2000

  • Henkelman, Graeme; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22
  • DOI: 10.1063/1.1323224

Projector augmented-wave method
journal, December 1994


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Quasiparticle band structure and screening in silicon and carbon clathrates
journal, January 2003


Lattice parameters, densities, expansion coefficients and perfection of structure of Cu and of Cu–In α phase
journal, November 1969


Compression of Ag and phase transformation of NaCl
journal, April 1973

  • Liu, Lin‐gun; Bassett, William A.
  • Journal of Applied Physics, Vol. 44, Issue 4
  • DOI: 10.1063/1.1662396

Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
journal, June 2006

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 124, Issue 21
  • DOI: 10.1063/1.2204597