skip to main content
Idioma:
Tipo de recurso Mostra resultados com: Mostra resultados com: Índice

Structure and Optical Properties of Li x Ag 1- x GaSe 2 and Li x Ag 1- x InSe 2

Jomaa, Mohammed ; Mishra, Vidyanshu ; Mumbaraddi, Dundappa ; Sikdar, Ritobroto ; Sarkar, Diganta ; Sun, Mengran ; Yao, Jiyong ; Michaelis, Vladimir K ; Mar, Arthur

Inorganic chemistry, 2023-05, Vol.62 (19), p.7491-7502 [Periódico revisado por pares]

United States

Texto completo disponível

Citações Citado por
  • Título:
    Structure and Optical Properties of Li x Ag 1- x GaSe 2 and Li x Ag 1- x InSe 2
  • Autor: Jomaa, Mohammed ; Mishra, Vidyanshu ; Mumbaraddi, Dundappa ; Sikdar, Ritobroto ; Sarkar, Diganta ; Sun, Mengran ; Yao, Jiyong ; Michaelis, Vladimir K ; Mar, Arthur
  • É parte de: Inorganic chemistry, 2023-05, Vol.62 (19), p.7491-7502
  • Descrição: Complete substitution of Li atoms for Ag atoms in AgGaSe and AgInSe was achieved, resulting in the solid solutions Li Ag GaSe and Li Ag InSe . The detailed crystal structures were determined by single-crystal X-ray diffraction and solid-state Li nuclear magnetic resonance spectroscopy, which confirm that Li atoms occupy unique sites and disorder only with Ag atoms. The tetragonal CuFeS -type structure (space group 4̅2 ) was retained within the entirety of the Ga-containing solid solution Li Ag GaSe , which is noteworthy because the end-member LiGaSe normally adopts the orthorhombic β-NaFeO -type structure (space group 2 ). These structures are closely related, being superstructures of the cubic sphalerite and hexagonal wurtzite prototypes adopted by diamond-like semiconductors. For the In-containing solid solution Li Ag InSe , the structure transforms from the tetragonal to orthorhombic forms as the Li content increases past = 0.50. The optical band gaps increase gradually with higher Li content, from 1.8 to 3.4 eV in Li Ag GaSe and from 1.2 to 2.5 eV in Li Ag InSe , enabling control to desired values, while the second harmonic generation responses become stronger or are similar to those of benchmark infrared nonlinear optical materials such as AgGaS . All members of these solid solutions remain congruently melting at accessible temperatures between 800 and 900 °C. Electronic structure calculations support the linear trends seen in the optical band gaps and confirm the mostly ionic character present in Li-Se bonds, in contrast to the more covalent character in Ga-Se or In-Se bonds.
  • Editor: United States
  • Idioma: Inglês
Links
Voltar para lista de resultados

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

Buscando em bases de dados remotas. Favor aguardar.