116 citations · 264 across the 10 of their papers we have counts for
10 papers
Giant Apparent Flexoelectricity in Semiconductors Driven by Insulator-to-metal Transition
Ya-Xun Wang, Jian-Gao Li, Gotthard Seifert +2
We elucidate the flexoelectricity of materials in the high strain gradient regime, of which the underlying mechanism is less understood. By using the generalized Bloch theorem, we…
The Phonon Quasiparticle Approach for Anharmonic Properties of Solids
Zhen Zhang, Dong-Bo Zhang, Tao Sun +1
Knowledge of lattice anharmonicity is essential to elucidate distinctive thermal properties in crystalline solids. Yet, accurate \textit{ab initio} investigations of lattice anharm…
Transversal Flexoelectricity of Semiconductor Thinfilm under High Strain Gradient
Chao He, Jin-Kun Tang, Yang Yang +2
The flexoelectric behaviors of solids under high strain gradient can be distinct from that under low strain gradient. Using the generalized Bloch theorem, we investigate theoretica…
Giant Flexoelectricity in Bent Silicon Thinfilms
Dong-Bo Zhang, Kai Chang
We reveal that strong flexoelectric effect of solids can be induced due to the signfi?cant charge migration along the strain gradient direction, which represents a new understandin…
Thermal Conductivity of CaSiO Perovskite at Lower Mantle Conditions
Zhen Zhang, Dong-Bo Zhang, Kotaro Onga +4
Thermal conductivity () of mantle minerals is a fundamental property in geodynamic modeling. It controls the style of mantle convection and the time scale of the mantle and core…
Flat Bands in Twisted Bilayers of Two-Dimensional Polar Materials
Xing-Ju Zhao, Yang Yang, Dong-Bo Zhang +1
The existence of Bloch flat bands provides an facile pathway to realize strongly correlated phenomena in materials. Using density-functional theory and tight-binding approach, we s…
phq: a Fortran code to compute phonon quasiparticle properties and dispersions
Zhen Zhang, Dong-Bo Zhang, Tao Sun +1
We here introduce a Fortran code that computes anharmonic free energy of solids from first-principles based on our phonon quasiparticle approach. In this code, phonon quasiparticle…
The quantum nature of the superconducting hydrogen sulfide at finite temperatures
Ying Yuan, Yexin Feng, Lifeng Bian +2
HS is believed to the most possible high-temperature superconducting () phase of hydrogen sulfide at 200 GPa. It's isotope substitution of hydrogen (H) by d…
Orientationally Misaligned Zipping of Lateral Graphene and Boron Nitride Nanoribbons with Minimized Strain Energy and Enhanced Half-Metallicity
Jiang Zeng, Wei Chen, Ping Cui +2
Lateral heterostructures of two-dimensional materials may exhibit various intriguing emergent properties. Yet when specified to the orientationally aligned heterojunctions of zigza…
Phonon Quasi-Particles and Anharmonic Free Energy in Complex Systems
Dong-Bo Zhang, Tao Sun, Renata M. Wentzcovitch
We use a hybrid strategy to obtain anharmonic frequency shifts and lifetimes of phonon quasi-particles from first principles molecular dynamics simulations in modest size supercell…