Electrolytic reduction of Tl+ ions in KCl crystals

Poloşan, Silviu; Tsuboi, Taijū; Apostol, E.; Topa, V.

doi:10.1016/j.optmat.2006.11.006

Cited by 8 publications

(3 citation statements)

References 11 publications

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“…Potassium chloride (KCl) is an inorganic salt with properties similar to those of common salt (NaCl). KCl is employed in optical windows for laser applications [8], and as a scintillator or in dosimetry by adding impurities [9][10][11]. At the end of the 1960s, several experimental and theoretical studies on the optical properties of KCl and other AH crystals were presented [12][13][14][15][16][17][18][19].…”

Section: Introductionmentioning

confidence: 99%

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations

Castillo-Quevedo¹,

Cabellos²,

Aceves³

et al. 2020

Preprint

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The unfolded band structure and optical properties of Cu-doped KCl crystals were computed by first principles within the framework of density functional theory, implemented in the ABINIT electronic structure package utilizing pseudopotential approximation and a plane-wave basis set. From a theoretical point of view, Cu substitution into pristine KCl crystals requires calculation by the supercell (SC) method. This procedure shrinks the Brillouin zone, resulting in a folded band structure that is difficult to interpret. To solve this problem and gain insight into the effect of copper ions (Cu+) on electronic properties, the band structure of SC KCl:Cu was unfolded to make a direct comparison with the band structure of the primitive cell (PC) of pristine KCl. To understand the effect of Cu substitution on optical absorption, we calculated the imaginary part of the dielectric function of KCl:Cu through a sum-over-states formalism and broke it down into different band contributions by partially making an iterated cumulative sum (ICS) of selected valence and conduction bands. Consequently, we identified those interband transitions that give rise to the absorption peaks due to the Cu+ ion. These transitions involve valence and conduction bands formed by the Cu-3d and Cu-4s electronic states

show abstract

Section: Introductionmentioning

confidence: 99%

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations

Castillo-Quevedo¹,

Cabellos²,

Aceves³

et al. 2020

Preprint

View full text Add to dashboard Cite

show abstract

“…Potassium chloride (KCl) is an inorganic salt with properties similar to those of common salt (NaCl) [ 7 ]. KCl is employed in optical windows for laser applications [ 8 ], and as a scintillator or in dosimetry by adding impurities [ 9 , 10 , 11 ]. At the end of the 1960s, several experimental and theoretical studies on the optical properties of KCl and other AH crystals were presented [ 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 ].…”

Section: Introductionmentioning

confidence: 99%

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations

et al. 2020

View full text Add to dashboard Cite

The unfolded band structure and optical properties of Cu-doped KCl crystals were computed by first principles within the framework of density functional theory, implemented in the ABINIT software program, utilizing pseudopotential approximation and a plane-wave basis set. From a theoretical point of view, Cu substitution into pristine KCl crystals requires calculation by the supercell (SC) method. This procedure shrinks the Brillouin zone, resulting in a folded band structure that is difficult to interpret. To solve this problem and gain insight into the effect of copper ions (Cu+) on electronic properties, the band structure of SC KCl:Cu was unfolded to make a direct comparison with the band structure of the primitive cell (PC) of pristine KCl. To understand the effect of Cu substitution on optical absorption, we calculated the imaginary part of the dielectric function of KCl:Cu through a sum-over-states formalism and broke it down into different band contributions by partially making an iterated cumulative sum (ICS) of selected valence and conduction bands. Consequently, we identified those interband transitions that give rise to the absorption peaks due to the Cu+ ion. These transitions involve valence and conduction bands formed by the Cu-3d and Cu-4s electronic states.

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“…Although this crystal has undesirable properties such as attractive moisture, poor thermal and mechanical properties. But with adding of heavy impurities it can replace for the crystals used in lasers, scintillators and telecommunications equipment optical fiber with low-cost and efficient [4]. In this study the crystal growth of KCl with heavy impurities and effect of increasing of impurity on the properties of these crystals are investigated.…”

Section: Introductionmentioning

confidence: 99%

KCl Single Crystals Growth with Mn, Ag and In Impurities by Czochralski Method and Study of Impurities Influence on Their Properties

Samavat¹,

Ali²,

Solgi³

et al. 2012

OJPC

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In this research KCl, KCl:Mn, KCl:Ag and KCl:In single crystals have been grown by Czochralski method. X-ray diffraction confirms KCl single crystal formation. In this work also influence of mentioned impurities on the optical property of KCl single crystal has been studied by chemical etching. Then the hardness of these crystals have been measured by Vickers micro hardness. The result indicate the positive effect of the impurity on optical and mechanical properties.

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Electrolytic reduction of Tl+ ions in KCl crystals

Cited by 8 publications

References 11 publications

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations

KCl Single Crystals Growth with Mn, Ag and In Impurities by Czochralski Method and Study of Impurities Influence on Their Properties

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