Elektronická struktura a optické vlastnosti CdO z volně ložené do nanosheet: DFT přístup

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F15%3A43926246" target="_blank" >RIV/49777513:23640/15:43926246 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1016/j.optmat.2015.06.007" target="_blank" >http://dx.doi.org/10.1016/j.optmat.2015.06.007</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.optmat.2015.06.007" target="_blank" >10.1016/j.optmat.2015.06.007</a>

Result language

čeština

Original language name

Electronic structure and optical properties of CdO from bulk to nanosheet: DFT approach

Original language description

First principle calculations of CdO nanosheet were performed with the help of full potential linear augmented plane wave (FPLAPW) method within the generalized gradient approximation (GGA) as implemented in WIEN2K program. Electronic structure and optical properties of CdO nanosheet have been calculated and discussed in this work. The calculated band structure shows that the CdO nanosheet is direct band gap semiconductor. The band gap value so obtained is 0.8 eV. The contribution of different bands wasanalyzed on the basis of total (TDOS) and partial density of state (PDOS). A number of optical parameters have been calculated and discussed in details. Static dielectric constants are found to be 2.1 and 1.5 for and . The static refractive index n(0) value for nxx(omega) and nzz(omega) are found to be 1.439 and 0.113 respectively. In the high energy region the reflectivity is about 26%. The average value of dielectric constant for CdO-bulk and nanosheet shows the critical point at 2.3 e

Czech name

Electronic structure and optical properties of CdO from bulk to nanosheet: DFT approach

Czech description

First principle calculations of CdO nanosheet were performed with the help of full potential linear augmented plane wave (FPLAPW) method within the generalized gradient approximation (GGA) as implemented in WIEN2K program. Electronic structure and optical properties of CdO nanosheet have been calculated and discussed in this work. The calculated band structure shows that the CdO nanosheet is direct band gap semiconductor. The band gap value so obtained is 0.8 eV. The contribution of different bands wasanalyzed on the basis of total (TDOS) and partial density of state (PDOS). A number of optical parameters have been calculated and discussed in details. Static dielectric constants are found to be 2.1 and 1.5 for and . The static refractive index n(0) value for nxx(omega) and nzz(omega) are found to be 1.439 and 0.113 respectively. In the high energy region the reflectivity is about 26%. The average value of dielectric constant for CdO-bulk and nanosheet shows the critical point at 2.3 e

Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BE - Theoretical physics

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2015

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Optical Materials

ISSN

0925-3467

e-ISSN

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Volume of the periodical

47

Issue of the periodical within the volume

září 2015

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

7

Pages from-to

372-378

UT code for WoS article

000359166500060

EID of the result in the Scopus database

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