Chemical trends of electronic and optical properties of ns2 ions in halides

M. H. Du

doi:10.1039/c4tc00485j

Chemical trends of electronic and optical properties of ns2 ions in halides

Journal of Materials Chemistry C ◽

10.1039/c4tc00485j ◽

2014 ◽

Vol 2 (24) ◽

pp. 4784-4791 ◽

Cited By ~ 20

Author(s):

M. H. Du

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional ◽

Host Material ◽

Luminescent Materials ◽

Optical Transitions ◽

Electronic And Optical Properties ◽

Chemical Trends

Density functional calculations demonstrate how the hybridization between the ns2 ion (e.g., Tl+) and its ligand and the ionicity of the host material affect electronic structure and optical transitions in ns2 ion-activated luminescent materials.

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Electronic and optical properties of ZnO nanosheet doped and codoped with Be and/or Mg for ultraviolet optoelectronic technologies: density functional calculations

Physica Scripta ◽

10.1088/1402-4896/ab461a ◽

2019 ◽

Vol 95 (1) ◽

pp. 015804 ◽

Cited By ~ 3

Author(s):

I Bouziani ◽

M Kibbou ◽

Z Haman ◽

Y Benhouria ◽

I Essaoudi ◽

...

Keyword(s):

Optical Properties ◽

Density Functional Calculations ◽

Density Functional ◽

Electronic And Optical Properties

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Electronic and optical properties of Co-doped 3C-SiC from density functional calculations

Solid State Communications ◽

10.1016/j.ssc.2014.07.016 ◽

2014 ◽

Vol 196 ◽

pp. 28-31 ◽

Cited By ~ 7

Author(s):

P.L. Zhou ◽

S.K. Zheng ◽

Lei Ma ◽

Jingfang He ◽

Yan Tian ◽

...

Keyword(s):

Optical Properties ◽

Density Functional Calculations ◽

Density Functional ◽

Electronic And Optical Properties ◽

Co Doped

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Theoretical and experimental study on the electronic and optical properties of K0.5Rb0.5Pb2Br5: a promising laser host material

RSC Advances ◽

10.1039/d0ra00718h ◽

2020 ◽

Vol 10 (19) ◽

pp. 11156-11164 ◽

Cited By ~ 2

Author(s):

Tuan V. Vu ◽

A. A. Lavrentyev ◽

B. V. Gabrelian ◽

Dat D. Vo ◽

Hien D. Tong ◽

...

Keyword(s):

Experimental Study ◽

Optical Properties ◽

Electronic Structure ◽

Host Material ◽

First Principle ◽

X Ray ◽

Electronic And Optical Properties ◽

First Principle Calculations

The data on the electronic structure and optical properties of bromide K0.5Rb0.5Pb2Br5 achieved by first-principle calculations and verified by X-ray spectroscopy measurements are reported.

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Density functional calculations of the electronic structure and optical properties of the ternary carbidesAl4SiC4andAl4Si2C5

Physical Review B ◽

10.1103/physrevb.78.195102 ◽

2008 ◽

Vol 78 (19) ◽

Cited By ~ 21

Author(s):

Altaf Hussain ◽

Sitaram Aryal ◽

Paul Rulis ◽

M. Arshad Choudhry ◽

W. Y. Ching

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional

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The electronic structure, elastic and optical properties of Cu2ZnGe(SexS1 − x)4 alloys: density functional calculations

Molecular Physics ◽

10.1080/00268976.2016.1211326 ◽

2016 ◽

Vol 114 (20) ◽

pp. 2948-2957 ◽

Cited By ~ 3

Author(s):

Kesheng Shen ◽

Guangrui Jia ◽

Xianzhou Zhang ◽

Zhaoyong Jiao

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional

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Tunable electronic structure and enhanced optical properties in quasi-metallic hydrogenated/fluorinated SiC heterobilayer

Journal of Materials Chemistry C ◽

10.1039/c6tc01988a ◽

2016 ◽

Vol 4 (31) ◽

pp. 7406-7414 ◽

Cited By ~ 16

Author(s):

Xianping Chen ◽

Junke Jiang ◽

Qiuhua Liang ◽

Ruishen Meng ◽

Chunjian Tan ◽

...

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Electronic And Optical Properties

The electronic and optical properties of a hydrogenated/fluorinated SiC heterobilayer were systematically investigated by using density functional theory calculations.

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Density functional calculations of the electronic structure and optical properties of aluminosilicate polymorphs (Al2SiO5)

American Mineralogist ◽

10.2138/am.2008.2664 ◽

2008 ◽

Vol 93 (1) ◽

pp. 114-123 ◽

Cited By ~ 30

Author(s):

S. Aryal ◽

P. Rulis ◽

W.Y. Ching

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional

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Density Functional Calculations, Electronic Structure, and Optical Properties of Molybdenum Bimetallic Nitrides Pt2Mo3N and Pd2Mo3N

The Journal of Physical Chemistry B ◽

10.1021/jp1116382 ◽

2011 ◽

Vol 115 (13) ◽

pp. 3363-3370 ◽

Cited By ~ 6

Author(s):

Ali Hussain Reshak ◽

S. Auluck ◽

I. V. Kityk

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional

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Investigation of electronic and optical properties of quaternary vanadate Cu2LiVO4 by density functional calculations

Journal of Computational Electronics ◽

10.1007/s10825-018-1270-1 ◽

2018 ◽

Vol 18 (1) ◽

pp. 1-5 ◽

Cited By ~ 3

Author(s):

Shuai Zhao ◽

Guangping Zheng

Keyword(s):

Optical Properties ◽

Density Functional Calculations ◽

Density Functional ◽

Electronic And Optical Properties

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Electronic and optical properties of Mg-, F-doped and Mg∖F-codoped M 1 -VO 2 via hybrid density functional calculations

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2015.10.248 ◽

2016 ◽

Vol 658 ◽

pp. 569-575 ◽

Cited By ~ 17

Author(s):

I. Abdellaoui ◽

G. Merad ◽

M. Maaza ◽

H. Si Abdelkader

Keyword(s):

Optical Properties ◽

Density Functional Calculations ◽

Density Functional ◽

Electronic And Optical Properties ◽

Hybrid Density Functional

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