Ab initio study of elastic properties of orthorhombic cadmium stannate as a substrate for the manufacture of MEMS devices

Ongwen, Nicholas O.; Ogam, Erick; Otunga, Henry

doi:10.1016/j.mtcomm.2020.101822

Cited by 14 publications

(11 citation statements)

References 22 publications

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“…Details of the calculation are found in our recent work [6]. The brittle and ductile behaviour of a material can be determined using the Poisson's ratio as well as the Pugh's ratio (Eqn.…”

Section: Calculation Of Elastic Constantsmentioning

confidence: 99%

Microstructural and elastic properties of stable aluminium-rich TiAl and TiAl2 formed phase Intermetallics

et al. 2021

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We studied aluminium-rich Ti-Al (Ti32Al68 and Ti40Al60) binary alloys that were composed of TiAl and TiAl2 lamellar microstructures. The law of mixtures was employed in calculating the theoretical Young's moduli. The lattice parameters of the alloys showed that both were tetragonal crystals. In the computational study, we made use of our modified method for the stress-strain calculation of elastic constants. The alloys at the respective chemical compositions were modelled by creating titanium (Ti) supercells, which were then doped by replacing some of the Ti atoms with aluminium atoms. The values of elastic moduli were verified by the ab initio calculation in this work, which showed a perfect agreement. The Pugh's ratio showed that both the alloys are ductile.

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“…Details of the calculation are found in our recent work [6]. The brittle and ductile behaviour of a material can be determined using the Poisson's ratio as well as the Pugh's ratio (Eqn.…”

Section: Calculation Of Elastic Constantsmentioning

confidence: 99%

Microstructural and elastic properties of stable aluminium-rich TiAl and TiAl2 formed phase Intermetallics

et al. 2021

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“…All the calculations were performed using generalized gradient approximation within the Quantum Espresso algorithm. The calculation of the elastic constants (and hence, the mechanical properties) was determined using the stress-strain method from the work by Ongwen, Ogam, and Otunga [19]. Very small values of strains (±0.006) were applied to the crystals so as to ensure that resulting stresses remained within the linear regime of Hooke's law.…”

Section: Methodsmentioning

confidence: 99%

The Influence of Niobium and Zirconium Addition on the Structural and Mechanical Properties of Yttrium Nitride: A First-Principles Study

Alruqi

2023

Coatings

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Yttrium nitride (YN) is a hard and refractory material with a high melting point. It is a semiconductor that has been investigated for its potential applications in the field of semiconductor technology, including as a material for electronic devices. It is also of interest for its optical properties and its potential for use in optoelectronics. However, investigating its mechanical properties for a possible application in optical coatings has not been completed. This study involved the exploration of the mechanical properties of YN alloyed with niobium (Nb) and zirconium (Zr) for possible application in optical coatings using a first-principles approach. The result showed that the addition of Nb and Zr into the YN matrix had a profound effect on the mechanical properties of the modeled structures, with the Y-N-Nb (CYN_5) sample having the best mechanical properties. The bulk modulus was the most affected, with an increase of 26.48%, while the Vickers hardness had the smallest increase of 6.128% compared with those of pure YN. The modeled structures were thus found to be ideal alternative materials for optical coatings due to their improved mechanical properties.

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“…Moreover, the bulk modulus of Cd2SnO4 was found to be almost twice (150.3 GPa) compared to that of Si at 95 GPa (Kim, Cho & Muller, 2011), indicating that Cd2SnO4 is more incompressible compared to Si. The ductile nature of Cd2SnO4 obtained from the study (Ongwen, Ogam & Otunga, 2020), which implies that the material is easily deformed, also shades light into the possibility of having flexible and transparent MEMS fabricated on a semiconductor without any modifications. The objectives of this study were: (i) to compute the temperaturedependent elastic constants of Si, SiC and diamond; and (ii) to compare the temperature-dependence of elastic constants of Si, SiC and diamond in relation to their application as substrates in the manufacture of MEMS devices.…”

Section: Introductionmentioning

confidence: 90%

“…In a recent work, elastic constants of cadmium stannate (Cd2SnO4), a semiconductor that is transparent in the visible spectrum, was carried at the ground-state for the first time (Ongwen, Ogam & Otunga, 2020). The outcome of the study showed that Cd2SnO4 possesses desirable elastic properties that are comparable to those of Si.…”

Section: Introductionmentioning

confidence: 99%

Temperature-Dependent Elastic Constants of Substrates for Manufacture of Mems Devices

Erick Ogam,

Z. E. A Fellah,

Henry Otunga

et al. 2022

Kabarak j. res. innov.

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We present a comparative computational study of temperature-dependent elastic constants of silicon (Si), silicon carbide (SiC) and diamond as substrates that are commonly used in the manufacture of Micro-Electromechanical Systems (MEMS) devices. Also mentioned is Cd2SnO4, whose ground-state elastic constants were determined just recently for the first time. Si is the dominant substrate used in the manufacture of MEMS devices, owing to its desirable electrical, electronic, thermal and mechanical properties. However, its low hardness, brittleness and inability to work under harsh environment such as high-temperature environment, has limited its use in the manufacture of MEMS like mechanical sensors and bioMEMS. Mechanical sensors are fabricated on SiC and diamond due to their high Young’s moduli as well as high fracture strength, while the bioMEMS are fabricated on polymers. The effect of temperature on the elastic constants of these substrates will help in giving insight into how their performance vary with temperature.

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Ab initio study of elastic properties of orthorhombic cadmium stannate as a substrate for the manufacture of MEMS devices

Cited by 14 publications

References 22 publications

Microstructural and elastic properties of stable aluminium-rich TiAl and TiAl2 formed phase Intermetallics

Microstructural and elastic properties of stable aluminium-rich TiAl and TiAl2 formed phase Intermetallics

The Influence of Niobium and Zirconium Addition on the Structural and Mechanical Properties of Yttrium Nitride: A First-Principles Study

Temperature-Dependent Elastic Constants of Substrates for Manufacture of Mems Devices

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