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

Journal Article · · Physical Review. B

Sponsoring Organization:
USDOE
Grant/Contract Number:
SC0006433
OSTI ID:
1357078
Journal Information:
Physical Review. B, Journal Name: Physical Review. B Vol. 95 Journal Issue: 19; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (49)

Lattice parameters, densities, expansion coefficients and perfection of structure of Cu and of Cu–In α phase journal November 1969
Generalized Gradient Approximation Made Simple journal October 1996
Synthesis of Group IV Clathrates for Photovoltaics journal October 2013
Increasing the Efficiency of Ideal Solar Cells by Photon Induced Transitions at Intermediate Levels journal June 1997
Projector augmented-wave method journal December 1994
Synthesis and X-Ray Characterization of Silicon Clathrates journal July 1999
Superconductivity in the Silicon Clathrate Compound (Na,Ba) x S i 46 journal February 1995
Structural characterisations of the NaxSi136 and Na8Si46 silicon clathrates using the Rietveld method journal January 1998
High-Pressure Synthesis of a New Silicon Clathrate Superconductor, Ba 8 Si 46 journal January 2000
Thermal conductivity of elemental crystalline silicon clathrate Si136 journal February 2003
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
Raman scattering study of stoichiometric Si and Ge type II clathrates journal December 2002
From molecules to solids with the DMol3 approach journal November 2000
An all‐electron numerical method for solving the local density functional for polyatomic molecules journal January 1990
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies journal October 1986
Norm-Conserving Pseudopotentials journal November 1979
Low-density framework form of crystalline silicon with a wide optical band gap journal September 2000
Structural Principles of Semiconducting Group 14 Clathrate Frameworks journal March 2011
Structural, transport, magnetic, and thermal properties of Eu 8 Ga 16 Ge 30 journal November 2001
Glasslike Heat Conduction in High-Mobility Crystalline Semiconductors journal January 1999
Electronic excitations: density-functional versus many-body Green’s-function approaches journal June 2002
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)] journal June 2006
Temperature dependent structural and transport properties of the type II clathrates A8Na16E136 (A=Cs or Rb and E=Ge or Si) journal June 2002
Magnetic and electronic properties of Eu 4 Sr 4 Ga 16 Ge 30 journal May 2006
Ab initiomolecular dynamics for liquid metals journal January 1993
A climbing image nudged elastic band method for finding saddle points and minimum energy paths journal December 2000
Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections journal December 2007
Quasiparticle band structure based on a generalized Kohn-Sham scheme journal September 2007
Prediction of Giant Thermoelectric Power Factor in Type-VIII Clathrate Si46 journal November 2014
Theoretical Study of the Lattice Thermal Conductivity in Ge Framework Semiconductors journal March 2001
Glasslike versus crystalline thermal conductivity in carrier-tuned Ba 8 Ga 16 X 30 clathrates ( X = Ge , Sn ) journal September 2006
Group IV clathrates: synthesis, optoelectonic properties, and photovoltaic applications conference March 2014
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
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
Silicon clathrates as anode materials for lithium ion batteries? journal January 2013
Special points for Brillouin-zone integrations journal June 1976
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Understanding intermediate-band solar cells journal February 2012
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Phase stability and chemical composition dependence of the thermoelectric properties of the type-I clathrate Ba8AlxSi46−x (8≤x≤15) journal May 2011
Intermediate-band photovoltaic solar cell based on ZnTe:O journal July 2009
Self-consistent G W calculations for semiconductors and insulators journal June 2007
Compression of Ag and phase transformation of NaCl journal April 1973
Inorganic clathrate-II materials of group 14: synthetic routes and physical properties journal January 2008
Synthesis and optical band gaps of alloyed Si–Ge type II clathrates journal January 2014
Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells journal March 1961
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points journal December 2000
Implementation and performance of the frequency-dependent G W method within the PAW framework journal July 2006