Elastic constants and lattice anharmonicity of GaSb and GaP from ultrasonic-velocity measurements between 4.2 and 300 K

Boyle, W. F.; Sladek, R. J.

doi:10.1103/physrevb.11.2933

Cited by 82 publications

(24 citation statements)

References 20 publications

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“…Our calculated bulk modulus B and elastic constants C 11 , C 12 , and C 44 are lower than experiment, by ∼9% for B when compared with the room-temperature measurement of McSkimin et al [89], and by ∼6% for the elastic constants in comparison with the low-temperature measurements of Boyle and Sladek [90], but they are within the same level of accuracy as previous calculations at a similar level of theory [91][92][93][94][95].…”

Section: A Bulk Properties Of Gasbsupporting

confidence: 59%

N incorporation and associated localized vibrational modes in GaSb

et al. 2014

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We present results of electronic structure calculations on the N-related localized vibrational modes in the dilute nitride alloy GaSb 1−x N x . By calculating the formation energies of various possible N incorporation modes in the alloy, we determine the most favorable N configurations, and we calculate their vibrational mode frequencies using density functional theory under the generalized gradient approximation to electron exchange and correlation, including the effects of the relativistic spin-orbit interactions. For a single N impurity, we find substitution on an Sb site, N Sb , to be most favorable, and for a two-N-atom complex, we find the N-N split interstitial on an Sb site to be most favorable. For these defects, as well as, for comparison, defects comprising two N atoms on neighboring Sb sites and a N-Sb split interstitial on an Sb site, we find well-localized vibration modes (LVMs), which should be experimentally observable. The frequency of the triply degenerate LVM associated with N Sb is determined to be 427.6 cm −1 . Our results serve as a guide to future experimental studies to elucidate the incorporation of small concentrations of N in GaSb, which is known to lead to a reduction of the band gap and opens the possibility of using the material for long-wavelength applications.

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Section: A Bulk Properties Of Gasbsupporting

confidence: 59%

N incorporation and associated localized vibrational modes in GaSb

et al. 2014

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“…This approach is expected to be as accurate as GW, sometimes even better, for many practical applications but without the demand for large computational resources. [50] b Reference [51] c Reference [52] d Reference [53] e Reference [54] f Reference [4] [55] b Reference [56] c Reference [57] d Reference [58] e Reference [59] f Reference [60] g Reference [61] h Reference [62] i Reference [63] j Reference [64] k Reference [65] l Reference [66] m Reference [67] n Reference [68] p Reference [69] q Reference [70] r Reference [71] …”

Section: Resultsmentioning

confidence: 99%

Systematic approach for simultaneously correcting the band-gap andp−dseparation errors of common cation III-V or II-VI binaries in density functional theory calculations within a local density approximation

2015

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We propose a systematic approach that can empirically correct three major errors typically found in the density functional theory (DFT) calculation within a local density approximation (LDA) simultaneously for a set of common cation binary semiconductors, such as III-V compounds -(Ga or In)X with X=N, P, As, Sb, and II-VI compounds (Zn or Cd)X, with X= O, S, Se, Te. By correcting (1) the binary bandgaps at high symmetry points Γ, L, X, (2) the separation of p and d orbital derived valence bands, and (3) conduction band effective masses to experimental values and doing so simultaneously for common cation binaries, the resulting DFT-LDA based quasi first-principles method can be used to predict the electronic structure of complex materials involving multiple binaries with comparable accuracy but much less computational cost than a GW level theory. This approach provides an efficient way to evaluate the electronic structures and other material properties of complex systems much needed for material discovery and design.

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“…t Si and Y Si are the thickness and Young's modulus of the silicon substrate respectively and t GaP and Y GaP are the thickness and Young's modulus of the GaP layer. The Young's modulus of silicon and gallium phosphide were taken to be 166 GPa [52] and 103 GPa [41,53]. The cantilever was securely mounted to the liquid helium cooled baseplate of a temperature-controlled cryostat [54].…”

Section: Methodsmentioning

confidence: 99%

“…where f is frequency in Hz, T is temperature in Kelvin, Y and σ are the Young's modulus and Poisson's ratio of the substrate, Y 0 and σ 0 are the Young's modulus and Poisson's ratio of the coating (here σ 0 ¼ 0.31 [53]). ϕ ∥ and ϕ ⊥ are the mechanical loss values for the coating for strains parallel and perpendicular to the coating surface, d is the coating thickness and w 0 is the laser beam radius.…”

Section: Estimation Of the Thermal Noise Of A Multilayer Gap/algamentioning

confidence: 99%

Cryogenic mechanical loss of a single-crystalline GaP coating layer for precision measurement applications

et al. 2017

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The first direct observations of gravitational waves have been made by the Advanced LIGO detectors. However, the quest to improve the sensitivities of these detectors remains, and epitaxially grown singlecrystal coatings show considerable promise as alternatives to the ion-beam sputtered amorphous mirror coatings typically used in these detectors and other such precision optical measurements. The mechanical loss of a 1 μm thick single-crystalline gallium phosphide (GaP) coating, incorporating a buffer layer region necessary for the growth of high quality epitaxial coatings, has been investigated over a broad range of frequencies and with fine temperature resolution. It is shown that at 20 K the mechanical loss of GaP is a factor of 40 less than an undoped tantala film heat-treated to 600°C and is comparable to the loss of a multilayer GaP/AlGaP coating. This is shown to translate into possible reductions in coating thermal noise of a factor of 2 at 120 K and 5 at 20 K over the current best IBS coatings (alternating stacks of silica and titania-doped tantala). There is also evidence of a thermally activated dissipation process between 50 and 70 K.

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Elastic constants and lattice anharmonicity of GaSb and GaP from ultrasonic-velocity measurements between 4.2 and 300 K

Cited by 82 publications

References 20 publications

N incorporation and associated localized vibrational modes in GaSb

N incorporation and associated localized vibrational modes in GaSb

Systematic approach for simultaneously correcting the band-gap andp−dseparation errors of common cation III-V or II-VI binaries in density functional theory calculations within a local density approximation

Cryogenic mechanical loss of a single-crystalline GaP coating layer for precision measurement applications

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