Elastic anisotropy and physical properties of semi-transition-metal borides: first-principles calculation

Zhang, Yongmei; Liu, Dong; Shi, Yindong; Sun, Ziyi; Wu, Li; Gao, Yanqin

doi:10.7567/1882-0786/ab57bd

Cited by 10 publications

(5 citation statements)

References 31 publications

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“…The other systems have more symmetrical character, being almost circular (i.e., isotropic) on the (001) plane (Figure 3a), rather all curves are prolate along the growth direction [001]. This points to the indirect interplay between elastic anisotropy and mechanical properties, [ 77 ] through the formation of dislocations in the material. [ 78 ] The presence of dislocations increases the elastic anisotropy and reduces the elastic moduli of the material.…”

Section: Resultsmentioning

confidence: 99%

Hyperbolic Metamaterials with Extreme Mechanical Hardness

Calzolari

Catellani

Nardelli

et al. 2021

Advanced Optical Materials

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Hyperbolic metamaterials (HMMs) are highly anisotropic optical materials that behave as metals or as dielectrics depending on the direction of propagation of light. They are becoming essential for a plethora of applications, ranging from aerospace to automotive, from wireless to medical and IoT. These applications often work in harsh environments or may sustain remarkable external stresses. This calls for materials that show enhanced optical properties as well as tailorable mechanical properties. Depending on their specific use, both hard and ultrasoft materials can be required, although the combination with optical hyperbolic response is rarely addressed. Here, the possibility to combine optical hyperbolicity and tunable mechanical properties in the same (meta)material is demonstrated, focusing on the case of extreme mechanical hardness. Using high‐throughput calculations from first principles and effective medium theory, a large class of layered materials with hyperbolic optical activity in the near‐IR and visible range is explored, and a reduced number of ultrasoft and hard HMMs is identified among more than 1800 combinations of transition metal rocksalt crystals. Once validated by the experiments, this new class of metamaterials may foster previously unexplored optical/mechanical applications.

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Section: Resultsmentioning

confidence: 99%

Hyperbolic Metamaterials with Extreme Mechanical Hardness

Calzolari

Catellani

Nardelli

et al. 2021

Advanced Optical Materials

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show abstract

“…isotropic) on the (001) plane (Figure 3a), rather all curves are prolate along the growth direction [001]. This points to the indirect interplay between elastic anisotropy and mechanical properties [77], through the formation of dislocations in the material [78]. The presence of dislocations increases the elastic anisotropy and reduces the elastic moduli of the material [79].…”

Section: Resultsmentioning

confidence: 99%

Hyperbolic metamaterials with extreme mechanical hardness

Calzolari¹,

Catellani²,

Nardelli³

et al. 2021

Preprint

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Hyperbolic metamaterials (HMMs) are highly anisotropic optical materials that behave as metals or as dielectrics depending on the direction of propagation of light. They are becoming essential for a plethora of applications, ranging from aerospace to automotive, from wireless to medical and IoT. These applications often work in harsh environments or may sustain remarkable external stresses. This calls for materials that show enhanced optical properties as well as tailorable mechanical properties. Depending on their specific use, both hard and ultrasoft materials could be required, although the combination with optical hyperbolic response is rarely addressed. Here, we demonstrate the possibility to combine optical hyperbolicity and tunable mechanical properties in the same (meta)material, focusing on the case of extreme mechanical hardness. Using high-throughput calculations from first principles and effective medium theory, we explored a large class of layered materials with hyperbolic optical activity in the near-IR and visible range, and we identified a reduced number of ultrasoft and hard HMMs among more than 1800 combinations of transition metal rocksalt crystals. Once validated by the experiments, this new class of metamaterials may foster previously unexplored optical/mechanical applications.

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“…The compression anisotropy increases, while the shear anisotropy decreases with the increased content of B atoms. The universal elastic anisotropic index includes the contributions of polycrystalline shear and bulk modulus [31]. The elastic anisotropy is mainly determined by the shear anisotropy due to the similar variation tendency between A shear and A U .…”

Section: Elastic Anisotropymentioning

confidence: 99%

Anisotropies in Elasticity, Sound Velocity, and Minimum Thermal Conductivity of Low Borides VxBy Compounds

Zhang

Zhao

et al. 2021

Metals

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Anisotropies in the elasticity, sound velocity, and minimum thermal conductivity of low borides VB, V5B6, V3B4, and V2B3 are discussed using the first-principles calculations. The various elastic anisotropic indexes (AU, Acomp, and Ashear), three-dimensional (3D) surface contours, and their planar projections among different crystallographic planes of bulk modulus, shear modulus, and Young’s modulus are used to characterize elastic anisotropy. The bulk, shear, and Young’s moduli all show relatively strong degrees of anisotropy. With increased B content, the degree of anisotropy of the bulk modulus increases while those of the shear modulus and Young’s modulus decrease. The anisotropies of the sound velocity in the different planes show obvious differences. Meanwhile, the minimum thermal conductivity shows little dependence on crystallographic direction.

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Elastic anisotropy and physical properties of semi-transition-metal borides: first-principles calculation

Cited by 10 publications

References 31 publications

Hyperbolic Metamaterials with Extreme Mechanical Hardness

Hyperbolic Metamaterials with Extreme Mechanical Hardness

Hyperbolic metamaterials with extreme mechanical hardness

Anisotropies in Elasticity, Sound Velocity, and Minimum Thermal Conductivity of Low Borides VxBy Compounds

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