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Crowley, Jason M., Tahir-Kheli, Jamil, Goddard, William A. (2016) Resolution of the Band Gap Prediction Problem for Materials Design. The Journal of Physical Chemistry Letters, 7 (7). 1198-1203 doi:10.1021/acs.jpclett.5b02870

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Reference TypeJournal (article/letter/editorial)
TitleResolution of the Band Gap Prediction Problem for Materials Design
JournalThe Journal of Physical Chemistry Letters
AuthorsCrowley, Jason M.Author
Tahir-Kheli, JamilAuthor
Goddard, William A.Author
Year2016 (April 7)Volume7
Issue7
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpclett.5b02870Search in ResearchGate
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Mindat Ref. ID11261403Long-form Identifiermindat:1:5:11261403:8
GUID0
Full ReferenceCrowley, Jason M., Tahir-Kheli, Jamil, Goddard, William A. (2016) Resolution of the Band Gap Prediction Problem for Materials Design. The Journal of Physical Chemistry Letters, 7 (7). 1198-1203 doi:10.1021/acs.jpclett.5b02870
Plain TextCrowley, Jason M., Tahir-Kheli, Jamil, Goddard, William A. (2016) Resolution of the Band Gap Prediction Problem for Materials Design. The Journal of Physical Chemistry Letters, 7 (7). 1198-1203 doi:10.1021/acs.jpclett.5b02870
In(2016, April) The Journal of Physical Chemistry Letters Vol. 7 (7) American Chemical Society (ACS)

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Crowley, Jason M., Tahir-Kheli, Jamil, Goddard, William A. (2015) Accurate Ab Initio Quantum Mechanics Simulations of Bi2Se3 and Bi2Te3 Topological Insulator Surfaces. The Journal of Physical Chemistry Letters, 6 (19). 3792-3796 doi:10.1021/acs.jpclett.5b01586
Matsuda, Yuki, Tahir-Kheli, Jamil, Goddard, William A. (2010) Definitive Band Gaps for Single-Wall Carbon Nanotubes. The Journal of Physical Chemistry Letters, 1 (19). 2946-2950 doi:10.1021/jz100889u
Xiao, Hai, Tahir-Kheli, Jamil, Goddard, William A. (2011) Accurate Band Gaps for Semiconductors from Density Functional Theory. The Journal of Physical Chemistry Letters, 2 (3). 212-217 doi:10.1021/jz101565j
Tahir-Kheli, Jamil, Goddard, William A. (2011) Origin of the Pseudogap in High-Temperature Cuprate Superconductors. The Journal of Physical Chemistry Letters, 2 (18). 2326-2330 doi:10.1021/jz200916t
Perry, Jason K., Tahir-Kheli, Jamil, Goddard, William A. (2001) Antiferromagnetic band structure ofLa2CuO4: Becke-3–Lee-Yang-Parr calculations. Physical Review B, 63 (14) doi:10.1103/physrevb.63.144510
Perry, Jason K., Tahir-Kheli, Jamil, Goddard, William A. (2002) Ab initioevidence for the formation of impurityd3z2−r2holes in dopedLa2−xSrxCuO4. Physical Review B, 65 (14) doi:10.1103/physrevb.65.144501
Matsuda, Yuki, Tahir-Kheli, Jamil, Goddard, William A. (2011) Surface and Electronic Properties of Hydrogen Terminated Si [001] Nanowires. The Journal of Physical Chemistry C, 115 (25). 12586-12591 doi:10.1021/jp106048u
Tahir-Kheli, Jamil, Goddard, William A. (2009) The Chiral Plaquette Polaron Paradigm (CPPP) for high temperature cuprate superconductors. Chemical Physics Letters, 472. 153-165 doi:10.1016/j.cplett.2009.02.025
Tahir-Kheli, Jamil, Goddard, William A. (2007) Chiral plaquette polaron theory of cuprate superconductivity. Physical Review B, 76 (1) doi:10.1103/physrevb.76.014514
Tahir-Kheli, Jamil, Goddard, William A. (2010) Universal Properties of Cuprate Superconductors: Tc Phase Diagram, Room-Temperature Thermopower, Neutron Spin Resonance, and STM Incommensurability Explained in Terms of Chiral Plaquette Pairing. The Journal of Physical Chemistry Letters, 1 (8). 1290-1295 doi:10.1021/jz100265k
Tahir-Kheli, Jamil, Goddard, William A. (1993) Infinite-range Heisenberg model and high-temperature superconductivity. Physical Review B, 48 (17) 13002-13017 doi:10.1103/physrevb.48.13002
 
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