Ab initio spin-phonon calculations show that direct one-phonon processes mediated by the flexural ZA acoustic branch drive the non-monotonic T1 relaxation of the hBN boron vacancy at high magnetic fields without fitting parameters.
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6 Pith papers cite this work. Polarity classification is still indexing.
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BSE calculations find pristine 2H-Ge exciton lifetimes above 10^-4 s that shorten by nearly two orders with Si alloying and reach nanoseconds under 2% uniaxial strain, yet remain too long to explain observed strong room-temperature PL.
Geometric percolation of Ti vacancies in 1T-TiS2 monolayers triggers half-metallic ferromagnetism at xc ≈ 12.5%, creating a functional window of 11% < x < 15% with 100% spin-polarized transport.
Ab initio molecular dynamics simulations of shocked H-He mixtures reproduce experimental reflectivity values without discontinuities at conditions where demixing was previously inferred from data.
LDA outperforms other functionals for monovacancy formation energies in fcc metals, while the LAK meta-GGA yields the highest accuracy for interstitials in diamond silicon, approaching QMC benchmarks.
citing papers explorer
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Acoustic-phonon-driven spin-lattice relaxation of the hBN boron vacancy in the sub-THz regime
Ab initio spin-phonon calculations show that direct one-phonon processes mediated by the flexural ZA acoustic branch drive the non-monotonic T1 relaxation of the hBN boron vacancy at high magnetic fields without fitting parameters.
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Exciton radiative lifetimes in hexagonal diamond Ge and Si$_x$Ge$_{1-x}$ alloys
BSE calculations find pristine 2H-Ge exciton lifetimes above 10^-4 s that shorten by nearly two orders with Si alloying and reach nanoseconds under 2% uniaxial strain, yet remain too long to explain observed strong room-temperature PL.
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Geometric Percolation Threshold Defines Half-Metallic Window in Vacancy-Doped Titanium disulfides
Geometric percolation of Ti vacancies in 1T-TiS2 monolayers triggers half-metallic ferromagnetism at xc ≈ 12.5%, creating a functional window of 11% < x < 15% with 100% spin-polarized transport.
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First-principles simulation of shocked H-He mixture along the principal Hugoniot
Ab initio molecular dynamics simulations of shocked H-He mixtures reproduce experimental reflectivity values without discontinuities at conditions where demixing was previously inferred from data.
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Rationalizing defect formation energies in metals and semiconductors with semilocal density functionals
LDA outperforms other functionals for monovacancy formation energies in fcc metals, while the LAK meta-GGA yields the highest accuracy for interstitials in diamond silicon, approaching QMC benchmarks.
- Uncovering Antipolar Ordering and Pressure-Tunable Phases in Hexagonal LaN