Determination of thermal expansion of germanium, rhodium and iridium by X-rays

Singh, Harpreet

doi:10.1107/s056773946800094x

Cited by 174 publications

(77 citation statements)

References 6 publications

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“…1(b)), which is close to the experimental one of 0.74 eV at 0 K. 16 Furthermore, the electronic structure predicted by the GGA þ U approach is consistent with the hybrid functional approach HSE06 (indirect band gap of 0.85 eV). The lattice parameter of an optimized unit cell was found to be 5.59 Å in good agreement with the experimental value of 5.66 Å , extrapolated to 0 K. 17 Figure 2 represents the formation energies of the V, PV, AsV, and SbV for various charge states. The doubly negatively charged vacancy, V À2 , is dominant for intrinsic and n-type doping conditions in agreement with experiment.…”

supporting

confidence: 60%

Diffusion of E centers in germanium predicted using GGA+U approach

et al. 2011

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supporting

confidence: 60%

Diffusion of E centers in germanium predicted using GGA+U approach

et al. 2011

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“…A single domain extends over several monatomic steps, indicating the high quality of the h-BN layer as it extends over step edges in a carpetlike fashion [24,32,33]. The moiré superstructure due to the lattice mismatch (Ir(111): a = 2.714Å [34] and h-BN: a = 2.505Å [35]) is highlighted in Fig. 1(b); it is formed by depressions arranged in a hexagonal lattice.…”

Section: Resultsmentioning

confidence: 99%

Epitaxial hexagonal boron nitride on Ir(111): A work function template

et al. 2014

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Hexagonal boron nitride (h-BN) is a prominent member in the growing family of two-dimensional materials with potential applications ranging from being an atomically smooth support for other two-dimensional materials to templating growth of molecular layers. We have studied the structure of monolayer h-BN grown by chemical vapor deposition on Ir(111) by low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS) experiments and state-of-the-art density functional theory (DFT) calculations. The lattice mismatch between the h-BN and Ir (111) surface results in the formation of a moiré superstructure with a periodicity of ∼29Å and a corrugation of ∼0.4Å. By measuring the field emission resonances above the h-BN layer, we find a modulation of the work function within the moiré unit cell of ∼0.5 eV. DFT simulations for a 13-on-12 h-BN/Ir(111) unit cell confirm our experimental findings and allow us to relate the change in the work function to the subtle changes in the interaction between boron and nitrogen atoms and the underlying substrate atoms within the moiré unit cell. Hexagonal boron nitride on Ir(111) combines weak topographic corrugation with a strong work function modulation over the moiré unit cell. This makes h-BN/Ir(111) a potential substrate for electronically modulated thin film and heterosandwich structures.

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“…The coefficient of thermal expansion for Ge is approximately one order of magnitude less than a composition-averaged value for SHTO alloys [26][27][28] ; over the 500-650°C annealing window the x-value that matches the Ge separation distance decreases from x ∼ 0.4 to x ∼ 0.3. We sought to determine how interface strain influenced crystallization.…”

Section: Deposition and Crystallization Of Shf X Ti 1−x O 3 Filmsmentioning

confidence: 99%

Monolithic integration of perovskites on Ge(001) by atomic layer deposition: a case study with SrHfxTi1-xO3

McDaniel

Posadas

et al. 2016

MRS Communications

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This work reports the growth of crystalline SrHf x Ti 1−x O 3 (SHTO) films on Ge (001) substrates by atomic layer deposition. Samples were prepared with different Hf content x to explore if strain, from tensile (x = 0) to compressive (x = 1), affected film crystallization temperature and how composition affected properties. Amorphous films grew at 225°C and crystallized into epitaxial layers at annealing temperatures that varied monotonically with composition from ∼530°C (x = 0) to ∼660°C (x = 1). Transmission electron microscopy revealed abrupt interfaces. Electrical measurements revealed 0.1 A/cm 2 leakage current at 1 MV/cm for x = 0.55.

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Determination of thermal expansion of germanium, rhodium and iridium by X-rays

Abstract: The lattice parameters of germanium, rhodium, and iridium were measured with a Unicam 19 cm high-temperature powder camera; the following equations represent the results:

Cited by 174 publications

References 6 publications

Diffusion of E centers in germanium predicted using GGA+U approach

Diffusion of E centers in germanium predicted using GGA+U approach

Epitaxial hexagonal boron nitride on Ir(111): A work function template

Monolithic integration of perovskites on Ge(001) by atomic layer deposition: a case study with SrHfxTi1-xO3

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