AB-INITIO CALCULATIONS OF ELECTRONIC STRUCTURE OF CdFeTe AND ITS OPTICAL PROPERTIES

被引：0

作者：

Mehrabova, M. A. ^{[1
]}

Orujov, H. S. ^{[2
,3
]}

Nuriyev, H. R. ^{[2
]}

Hasanov, N. H. ^{[4
]}

Abdullayeva, A. A. ^{[3
]}

Suleymanov, Z. I. ^{[2
]}

机构：

[1] ANAS, Inst Radiat Problems, B Vahabzade Str 9, AZ-1143 Baku, Azerbaijan

[2] ANAS, Inst Phys, H Javid Ave 131, AZ-1143 Baku, Azerbaijan

[3] Azerbaijan Tech Univ, H Javid Ave 25, AZ-107 Baku, Azerbaijan

[4] Baku State Univ, Z Khalilov Str 23, AZ-1148 Baku, Azerbaijan

来源：

MODERN TRENDS IN PHYSICS | 2019年

关键词：

Semimagnetic semiconductor; ab-initio; electronic structure; magnetic moments; absorption spectra; transmission spectra; MN;

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

First principle calculations based on density functional theory by the pseudopotential method, by use of Local Spin Density Approximation in AtomistixToolKit program carried out to define band gap, density of states, total energy, magnetic moments, number of electrons, Fermi levels of Cd1-xFexTe. Cd1-xFexTe epitaxial films on glass substrate were obtained. Absorption and transmission spectra were investigated. It was defined, that with an increase in Fe concentration there is an increase in the band gap.

引用

页码：39 / 42

页数：4

共 50 条

[1] Ab-initio calculations of electronic structure and optical properties of TiAl alloy
Hussain, Altaf
Hayat, Sardar Sikandar
Choudhry, M. A.
PHYSICA B-CONDENSED MATTER, 2011, 406 (10) : 1961 - 1965
[2] Ab-initio calculation of electronic structure and optical properties of AB-stacked bilayer α-graphyne
Behzad, Somayeh
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2016, 83 : 211 - 214
[3] Ab-initio calculations for electronic structure and momentum densities of samarium sesquioxide
Sharma, Sonu
Heda, N. L.
Suthar, K. K.
Bhatt, Samir
Sharma, Khushboo
Ahuja, B. L.
COMPUTATIONAL MATERIALS SCIENCE, 2015, 104 : 205 - 211
[4] Electronic structure of YFe2 by EELS and ab-initio calculations
Yanez-Terrazas, E.
Gallegos-Orozco, V.
Matutes-Aquino, J. A.
Ochoa-Lara, M. T.
Espinosa-Magana, F.
ADVANCES IN SEMICONDUCTING MATERIALS, 2009, 68 : 89 - 95
[5] Electronic structure and optical properties of α-Fe-Al alloy from ab initio calculations
Adebambo, P. O.
Bamgbose, K. M.
Olowofela, J. A.
Oguntuase, J. A.
Adebayo, G. A.
PHYSICA B-CONDENSED MATTER, 2010, 405 (21) : 4578 - 4581
[6] Ab-initio study on the electronic properties of perovskite structure-based ferroelectrics
Aslla-Quispe, A. P.
Miwa, R. H.
Guerra, J. D. S.
FERROELECTRICS, 2018, 535 (01) : 65 - 71
[7] Ab initio Calculations of Electronic and Optical Properties of BeO Nanosheet
Valedbagi, Sh.
Jalilian, J.
Elahi, S. M.
Majidi, S.
Fathalian, A.
Dalouji, V.
ELECTRONIC MATERIALS LETTERS, 2014, 10 (01) : 5 - 11
[8] Ab initio calculations of electronic and optical properties of BeO nanosheet
Sh. Valedbagi
J. Jalilian
S. M. Elahi
S. Majidi
A. Fathalian
V. Dalouji
Electronic Materials Letters, 2014, 10 : 5 - 11
[9] Nanoscale ab-initio calculations of optical and electronic properties of LaCrO3 in cubic and rhombohedral phases
Soltani, N.
Hosseini, S. M.
Kompany, A.
PHYSICA B-CONDENSED MATTER, 2009, 404 (21) : 4007 - 4014
[10] Electronic structure and optical properties of Fe-doped TiO2 by ab initio calculations
Nawaf, Sameer
Ibrahim, Ahmed K.
Al-Jobory, Alaa A.
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2023, 34 (02):

← 1 2 3 4 5 →