The effects of vapour incidence on the microstructrure and related properties of condensed GeS2 thin films

Starbova, K.; Mankov, V.; Dikova, J.; Starbov, N.

doi:10.1016/s0042-207x(99)00107-4

Cited by 13 publications

(5 citation statements)

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“…Moreover, thin films doped with silver are promising materials for submicrometer lithography [4,5], and bulk glasses with Ag + cations are good solid electrolytes with a high ionic conductivity at room temperature [6,7]. Therefore, the structural and electronic properties of g-GeS 2 have been extensively studied for many years through experimental measurements [8,9], and recently ab initio cluster calculations of crystalline GeS 2 have been performed on this topic [10]. However, in order to analyze rigorously the electronic structure of such amorphous materials (taking into account all the structural defects) Molecular Dynamics (MD) simulations on extended systems may be a particularly interesting tool since they give access to an atomic description of the electronic properties.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure of amorphous germanium disulfide via density-functional molecular dynamics simulations

Blaineau

Jund

2004

Phys. Rev. B

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Abstract. Using density functional molecular dynamics simulations we study the electronic properties of glassy g-GeS 2 . We compute the electronic density of states, which compares very well with XPS measurements, as well as the partial EDOS and the inverse participation ratio. We show the electronic contour plots corresponding to different structural environments, in order to determine the nature of the covalent bonds between the atoms. We finally study the local atomic charges, and analyze the impact of the local environment on the charge transfers between the atoms. The broken chemical order inherent to amorphous systems leads to locally charged zones when integrating the atomic charges up to nearest-neighbor distances.

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Section: Introductionmentioning

confidence: 99%

Electronic structure of amorphous germanium disulfide via density-functional molecular dynamics simulations

Blaineau

Jund

2004

Phys. Rev. B

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“…The material within the column can be either a single grain or polycrystalline. Columnar microstructures typically lead to film with anisotropic electrical, 4 optical, 5 and magnetic properties, 6 and nonrandom crystallographic texture. 7 At low growth temperatures ͑i.e., TϽ0.5T m , where T m is the melting temperature͒, these columns tend to tilt away from the surface normal, toward the incoming flux, as shown in Fig.…”

Section: Introductionmentioning

confidence: 99%

Shadowing effects on the microstructure of obliquely deposited films

Paritosh

Srolovitz

2002

Journal of Applied Physics

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Two spatial dimension front tracking simulations have been performed to study the growth of polycrystalline, faceted films from randomly oriented nuclei by varying the deposition angle of the incident flux during physical vapor deposition. The orientation of grain columns, the porosity, the crystallographic texture, and grain size are sensitive to the deposition angle. The origin of this effect is widely believed to be associated with shadowing. In order to isolate the effects of shadowing from other physical effects ͑such as surface diffusion, deposition species size, flux divergence, etc.͒, we have constructed a simulation where all of these effects are completely removed. These simulations demonstrate that while many of the observed structural properties of obliquely deposited films are controlled by shadowing, a few key properties cannot be attributed solely to shadowing.

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“…The illumination with band-gap light caused photo-densification 4 . Columnar structure was observed in obliquely deposited a-GeS 2 5 , too. Decrease of the refractive index and micro hardness versus angle of incidence has been reported.…”

Section: Introductionmentioning

confidence: 82%

“…Decrease of the refractive index and micro hardness versus angle of incidence has been reported. These are evidences of the increasing free volume with the increase of obliqueness 5 . Photo-induced changes in optical properties of obliquely deposited a-As 2 S 3 thin films have been studied by Dikova et al 6 .…”

Section: Introductionmentioning

confidence: 83%

Structure and photoinduced volume changes of obliquely deposited amorphous selenium

Lukács

Hegedüs

Kugler

2008

Journal of Applied Physics

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Atomic scale computer simulations on structures and photo induced volume changes of flatly and obliquely deposited amorphous selenium films have been carried out in order to understand how the properties of chalcogenide glasses are influenced by their preparation method. Obliquely deposited a-Se thin films contain more coordination defects, larger voids than the flatly deposited ones. To model the photo induced volume changes the electron excitation and hole creation were treated independently within the framework of tight-binding formalism.Covalent and interchain bond breakings and formations were found. The obliquely deposited samples containing voids showed a wide spectrum of photo induced structural changes in microscopic and volume changes in macroscopic levels.

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The effects of vapour incidence on the microstructrure and related properties of condensed GeS2 thin films

Cited by 13 publications

References 0 publications

Electronic structure of amorphous germanium disulfide via density-functional molecular dynamics simulations

Electronic structure of amorphous germanium disulfide via density-functional molecular dynamics simulations

Shadowing effects on the microstructure of obliquely deposited films

Structure and photoinduced volume changes of obliquely deposited amorphous selenium

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