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Grinberg, Ilya, Ramer, Nicholas J., Rappe, Andrew M. (2000) Transferable relativistic Dirac-Slater pseudopotentials. Physical Review B, 62 (4) 2311-2314 doi:10.1103/physrevb.62.2311

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Reference TypeJournal (article/letter/editorial)
TitleTransferable relativistic Dirac-Slater pseudopotentials
JournalPhysical Review B
AuthorsGrinberg, IlyaAuthor
Ramer, Nicholas J.Author
Rappe, Andrew M.Author
Year2000 (July 15)Volume62
Issue4
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.62.2311Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14154908Long-form Identifiermindat:1:5:14154908:0
GUID0
Full ReferenceGrinberg, Ilya, Ramer, Nicholas J., Rappe, Andrew M. (2000) Transferable relativistic Dirac-Slater pseudopotentials. Physical Review B, 62 (4) 2311-2314 doi:10.1103/physrevb.62.2311
Plain TextGrinberg, Ilya, Ramer, Nicholas J., Rappe, Andrew M. (2000) Transferable relativistic Dirac-Slater pseudopotentials. Physical Review B, 62 (4) 2311-2314 doi:10.1103/physrevb.62.2311
In(2000, July) Physical Review B Vol. 62 (4) American Physical Society (APS)

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Grinberg, Ilya, Ramer, Nicholas J., Rappe, Andrew M. (2001) Quantitative criteria for transferable pseudopotentials in density functional theory. Physical Review B, 63 (20) doi:10.1103/physrevb.63.201102
Ramer, Nicholas J., Rappe, Andrew M. (1999) Designed nonlocal pseudopotentials for enhanced transferability. Physical Review B, 59 (19) 12471-12478 doi:10.1103/physrevb.59.12471
Ramer, Nicholas J., Rappe, Andrew M. (2000) Virtual-crystal approximation that works: Locating a compositional phase boundary inPb(Zr1−xTix)O3. Physical Review B, 62 (2) doi:10.1103/physrevb.62.r743
Wang, Fenggong, Grinberg, Ilya, Rappe, Andrew M. (2014) Semiconducting ferroelectric photovoltaics throughZn2+doping intoKNbO3and polarization rotation. Physical Review B, 89 (23) doi:10.1103/physrevb.89.235105
Qi, Tingting, Grinberg, Ilya, Rappe, Andrew M. (2011) Band-gap engineering via local environment in complex oxides. Physical Review B, 83 (22) doi:10.1103/physrevb.83.224108
Bennett, Joseph W., Grinberg, Ilya, Rappe, Andrew M. (2006) Effect of symmetry lowering on the dielectric response ofBaZrO3. Physical Review B, 73 (18) doi:10.1103/physrevb.73.180102
Grinberg, Ilya, Rappe, Andrew M. (2004) Local structure and macroscopic properties inPbMg1∕3Nb2∕3O3−PbTiO3andPbZn1∕3Nb2∕3O3−PbTiO3solid solutions. Physical Review B, 70 (22) doi:10.1103/physrevb.70.220101
Shi, Jing, Grinberg, Ilya, Wang, Xiaoli, Rappe, Andrew M. (2014) Atomic sublattice decomposition of piezoelectric response in tetragonalPbTiO3,BaTiO3, andKNbO3. Physical Review B, 89 (9) doi:10.1103/physrevb.89.094105
Gou, Gaoyang, Grinberg, Ilya, Rappe, Andrew M., Rondinelli, James M. (2011) Lattice normal modes and electronic properties of the correlated metal LaNiO3. Physical Review B, 84 (14) doi:10.1103/physrevb.84.144101
Mason, Sara E., Grinberg, Ilya, Rappe, Andrew M. (2004) First-principles extrapolation method for accurate CO adsorption energies on metal surfaces. Physical Review B, 69 (16) doi:10.1103/physrevb.69.161401
Qi, Tingting, Grinberg, Ilya, Rappe, Andrew M. (2009) First-principles investigation of the highly tetragonal ferroelectric materialBi(Zn1/2Ti1/2)O3. Physical Review B, 79 (9) doi:10.1103/physrevb.79.094114
 
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