scholarly journals Remarkable static and dynamic NLO response of alkali and superalkali doped macrocyclic [hexa-]thiophene complexes; a DFT approach

RSC Advances ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 4118-4128
Author(s):  
Hasnain Sajid ◽  
Faizan Ullah ◽  
Sidra Khan ◽  
Khurshid Ayub ◽  
Muhammad Arshad ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Metal Atom ◽  
Nonlinear Optical ◽  
Alkali Metal Atom ◽  
Nlo Response

In this study, the nonlinear optical (NLO) response of alkali metal atom (Li, Na and K) and their corresponding superalkali (Li3O, Na3O and K3O) doped six membered cyclic thiophene (6CT) has been explored.

Alkali metal atom adsorption on-top of the F s 0 defective center of MgO(001) surface

2011 ◽  
Vol 15 (3) ◽  
pp. 223-228 ◽  
Author(s):  
Xu Zhang ◽  
Run Xu ◽  
Lin-jun Wang ◽  
Feng Hong
Keyword(s):  
Alkali Metal ◽  
Metal Atom ◽  
Alkali Metal Atom

Collision-Induced Absorption in Alkali-Metal-Atom—Inert-Gas Mixtures

1973 ◽  
Vol 7 (5) ◽  
pp. 1606-1609 ◽  
Author(s):  
C. Bottcher ◽  
A. Dalgarno ◽  
E. L. Wright
Keyword(s):  
Alkali Metal ◽  
Metal Atom ◽  
Alkali Metal Atom ◽  
Gas Mixtures ◽  
Inert Gas ◽  
Induced Absorption

Thermodynamic and electronic properties of alkali-metal atom fluids

1986 ◽  
Vol 57 (25) ◽  
pp. 3183-3186 ◽  
Author(s):  
John P. Hernandez
Keyword(s):  
Alkali Metal ◽  
Electronic Properties ◽  
Metal Atom ◽  
Alkali Metal Atom

Electron capture in ground and excited states in proton-alkali-metal-atom collisions

1992 ◽  
Vol 25 (4) ◽  
pp. 853-867 ◽  
Author(s):  
K B Choudhury ◽  
D P Sural
Keyword(s):  
Alkali Metal ◽  
Excited States ◽  
Electron Capture ◽  
Metal Atom ◽  
Alkali Metal Atom

Core-corrected modified Glauber approximation for e±-alkali-metal-atom collisions

1987 ◽  
Vol 139 (1) ◽  
pp. 23-27 ◽  
Author(s):  
T.T. Gien
Keyword(s):  
Alkali Metal ◽  
Metal Atom ◽  
Alkali Metal Atom

Alkali-metal-atom polarization imaging in high-pressure optical-pumping cells

1998 ◽  
Vol 58 (3) ◽  
pp. 2282-2294 ◽  
Author(s):  
A. Ben-Amar Baranga ◽  
S. Appelt ◽  
C. J. Erickson ◽  
A. R. Young ◽  
W. Happer
Keyword(s):  
High Pressure ◽  
Alkali Metal ◽  
Metal Atom ◽  
Optical Pumping ◽  
Alkali Metal Atom ◽  
Polarization Imaging

BONDING NATURE OF INTERCALATION COMPOUNDS M1/3TiS2 (M=TRANSITION-METAL ATOM, SILVER ATOM, ALKALI-METAL ATOM)

1993 ◽  
Vol 07 (01n03) ◽  
pp. 374-378 ◽  
Author(s):  
Naoshi SUZUKI ◽  
Tatsuya TESHIMA ◽  
Kazuko MOTIZUKI
Keyword(s):  
Transition Metal ◽  
Alkali Metal ◽  
Metal Atom ◽  
Silver Atom ◽  
Alkali Metal Atom ◽  
Intercalation Compounds ◽  
Energy Calculation ◽  
Covalent Bonds ◽  
Total Energy Calculation ◽  
Cohesive Properties

Self-consistent LAPW band calculations have been carried out systematically for intercalation compounds M 1/3 TiS 2 (M=transition metal, silver, alkali metal) in order to clarify bonding nature between the guest atoms and the host TiS 2. In transition-metal intercalates the guest 3d states hybridize with the S 3p states as well as the Ti 3d states. As the result covalent bonds are formed between the guest 3d and S 3p states, conserving the covalent bonds between the Ti 3d and S 3p states of the host. In Ag 1/3 TiS 2 the Ag 4d states hybridize strongly with the S 3p state and destroy the host covalent bonds between the Ti 3d and S 3p states. In Li 1/3 TiS 2 and K 1/3 TiS 2 there is little hybridization between the guest 2s or 4s states and the host Ti 3d or S 3p states. Cohesive properties of M 1/3 TiS 2 compounds, including stacking structures of the guest atoms, are discussed on the basis of the total energy calculation.

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