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Quantum chemical modeling of perovskite: An investigation of piezoelectricity in ferrite of yttrium
(Springer, 2011-07-01)
In a previous article, we used Hartree-Fock (HF) theory to study the piezoelectricity in BaTiO(3). In this paper, we applied the Douglas-Kroll-Hess second order scalar relativistic method to investigate the possible ...
Quantum chemical modeling of perovskite: An investigation of piezoelectricity in ferrite of yttrium
(Springer, 2011-07-01)
In a previous article, we used Hartree-Fock (HF) theory to study the piezoelectricity in BaTiO(3). In this paper, we applied the Douglas-Kroll-Hess second order scalar relativistic method to investigate the possible ...
Quantum mechanical study of YTiO3 to the investigation of piezoelectricity
(2011-06-22)
In previous articles we reported through theoretical studies the piezoelectric effect in BaTiO3, SmTiO3, and YFeO3. In this paper, we used the Douglas-Kroll-Hess (DKH) second-order scalar relativistic method to investigate ...
Quantum mechanical study of YTiO3 to the investigation of piezoelectricity
(2011-06-22)
In previous articles we reported through theoretical studies the piezoelectric effect in BaTiO3, SmTiO3, and YFeO3. In this paper, we used the Douglas-Kroll-Hess (DKH) second-order scalar relativistic method to investigate ...