Calculated Pressure Induced BCC-FCC Phase Transitions in Alkali Metals

Hamdi DAĞISTANLI; R. Haluk MUTLU

Article Details

Calculated Pressure Induced BCC-FCC Phase Transitions in Alkali Metals

Authors:

Hamdi DAĞISTANLI | R. Haluk MUTLU

Publisher:

TUBITAK

Journal:

Turkish Journal of Physics 2008 Vol.32 Issue 5, pp.269-273

Document Type:

Article

Publication Date:

4/2008

Document Language:

Turkish

Document ID (Org No.):

2000760921

Frequency:

Bimonthly

eISSN:

1303-6122

pISSN:

1300-0101

Keywords:

Abstract:

 

The partial occupation numbers and density of states (DOS), and the total DOS at the Fermi level are calculated as a function of reduced atomic volume for bcc and fcc alkali metals employing the linear-muffin-tin-orbital (LMTO) method. By means of the abrupt changes obtained in the partial and total DOS values at the Fermi level, good agreement with regard to experiment were found in predicting the bcc-fcc transition volumes of the alkali metals.

 

The partial occupation numbers and density of states (DOS), and the total DOS at the Fermi level are calculated as a function of reduced atomic volume for bcc and fcc alkali metals employing the linear-muffin-tin-orbital (LMTO) method. By means of the abrupt changes obtained in the partial and total DOS values at the Fermi level, good agreement with regard to experiment were found in predicting the bcc-fcc transition volumes of the alkali metals.

Article Details

Calculated Pressure Induced BCC-FCC Phase Transitions in Alkali Metals

Authors:

Hamdi DAĞISTANLI | R. Haluk MUTLU

Publisher:

TUBITAK

Journal:

Turkish Journal of Physics 2008 Vol.32 Issue 5, pp.269-273

Document Type:

Article

Publication Date:

4/2008

Document Language:

Turkish

Document ID (Org No.):

2000760921

Frequency:

Bimonthly

eISSN:

1303-6122

pISSN:

1300-0101

Pressure

Phase Transformations

Alkali Metals

Electronic Structure Calculations

LMTO Method

Issues

Article Details

Calculated Pressure Induced BCC-FCC Phase Transitions in Alkali Metals

Authors: Hamdi DAĞISTANLI | R. Haluk MUTLU

Publisher: TUBITAK

Journal: Turkish Journal of Physics 2008 Vol.32 Issue 5, pp.269-273

Document Type: Article

Publication Date: 4/2008

Document Language: Turkish

Document ID (Org No.): 2000760921

Frequency: Bimonthly

eISSN: 1303-6122

pISSN: 1300-0101

Pressure

Phase Transformations

Alkali Metals

Electronic Structure Calculations

LMTO Method

Issues

Authors:

Hamdi DAĞISTANLI | R. Haluk MUTLU

Publisher:

TUBITAK

Journal:

Turkish Journal of Physics 2008 Vol.32 Issue 5, pp.269-273

Document Type:

Article

Publication Date:

4/2008

Document Language:

Turkish

Document ID (Org No.):

2000760921

Frequency:

Bimonthly

eISSN:

1303-6122

pISSN:

1300-0101