First Principles Approach to BaTiO3

M. ULUDOĞAN; T. ÇAĞIN

Makale detayları

First Principles Approach to BaTiO3

Yazarlar:

M. ULUDOĞAN | T. ÇAĞIN

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Physics 2006 Vol.30 Issue 4, pp.277-285

Belge Tipi:

Makale

Yayın Tarihi:

3/2006

Belge Dili:

Türkçe

Document ID (Org No.):

2000761320

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101

Anahtar kelimeler:

Özet:

 

We present state of art first-principles study on the static  and dynamic properties of BaTiO3, a typical ferroelectric material.   Here, structure, equation of state, phase stability, and phase  transformations of BaTiO3 studied in Generalized Gradient  Approximation.  Furthermore, properties such as, Born effective  charges, optical dielectric constant and phonon spectra are calculated  from Density Functional Perturbation Theory.

 

We present state of art first-principles study on the static  and dynamic properties of BaTiO3, a typical ferroelectric material.   Here, structure, equation of state, phase stability, and phase  transformations of BaTiO3 studied in Generalized Gradient  Approximation.  Furthermore, properties such as, Born effective  charges, optical dielectric constant and phonon spectra are calculated  from Density Functional Perturbation Theory.

Makale detayları

First Principles Approach to BaTiO3

Yazarlar:

M. ULUDOĞAN | T. ÇAĞIN

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Physics 2006 Vol.30 Issue 4, pp.277-285

Belge Tipi:

Makale

Yayın Tarihi:

3/2006

Belge Dili:

Türkçe

Document ID (Org No.):

2000761320

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101

Turk. J. Phys.

30

(2006)

277-285. Full text: pdf Other articles published in the same issue: Turk. J. Phys.

vol.30

iss.4.

Sayı

Makale detayları

First Principles Approach to BaTiO3

Yazarlar: M. ULUDOĞAN | T. ÇAĞIN

Yayıncı: TUBITAK

Dergi: Turkish Journal of Physics 2006 Vol.30 Issue 4, pp.277-285

Belge Tipi: Makale

Yayın Tarihi: 3/2006

Belge Dili: Türkçe

Document ID (Org No.): 2000761320

Sıklık: İki Aylık

eISSN: 1303-6122

pISSN: 1300-0101

Turk. J. Phys.

30

(2006)

277-285. Full text: pdf Other articles published in the same issue: Turk. J. Phys.

vol.30

iss.4.

Sayı

Yazarlar:

M. ULUDOĞAN | T. ÇAĞIN

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Physics 2006 Vol.30 Issue 4, pp.277-285

Belge Tipi:

Makale

Yayın Tarihi:

3/2006

Belge Dili:

Türkçe

Document ID (Org No.):

2000761320

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101