scholarly journals Hybrid Hartree-Fock density functional study of charged point defects in ferroelectric PbTiO3

2013 ◽  
Vol 87 (17) ◽  
Author(s):  
Takahiro Shimada ◽  
Taku Ueda ◽  
Jie Wang ◽  
Takayuki Kitamura
Keyword(s):  
Point Defects ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Hartree Fock ◽  
Charged Point

Multiferroic nature of intrinsic point defects inBiFeO3: A hybrid Hartree-Fock density functional study

2016 ◽  
Vol 93 (17) ◽  
Author(s):  
Takahiro Shimada ◽  
Takahiro Matsui ◽  
Tao Xu ◽  
Kou Arisue ◽  
Yajun Zhang ◽  
...  
Keyword(s):  
Point Defects ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Intrinsic Point Defects ◽  
Hartree Fock

scholarly journals Defect energetics in ZnO: A hybrid Hartree-Fock density functional study

2008 ◽  
Vol 77 (24) ◽  
Author(s):  
Fumiyasu Oba ◽  
Atsushi Togo ◽  
Isao Tanaka ◽  
Joachim Paier ◽  
Georg Kresse
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Hartree Fock

Density-functional study of van der Waals forces on rare-gas diatomics: Hartree–Fock exchange

1999 ◽  
Vol 110 (4) ◽  
pp. 1916-1920 ◽  
Author(s):  
José M. Pérez-Jordá ◽  
Emilio San-Fabián ◽  
Angel J. Pérez-Jiménez
Keyword(s):  
Density Functional ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Functional Study ◽  
Rare Gas ◽  
Density Functional Study ◽  
Hartree Fock
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