activity
20132024
most citedA first-principles approach to nonlinear lattice dynamics: Anomalous spectra in PbTe

53 citations · 142 across the 8 of their papers we have counts for

collaborators

8 papers

cond-mat.str-el2024★ 14 cited

Field-induced phase transitions and quantum criticality in a honeycomb antiferromagnet Na3Co2SbO6

Ze Hu, Yue Chen, Yi Cui +10

We performed 23Na NMR measurements on a single-domain crystal of the Kitaev material Na3Co2SbO6, with magnetic field applied along the crystalline a axis. A positive Curie-Weiss co…

cond-mat.str-el2023★ 13 cited

Persistent spin dynamics in magnetically ordered honeycomb cobalt oxides

Ping Miao, Xianghong Jin, Weiliang Yao +7

In the quest to find quantum spin liquids, layered cobalt oxides Na2Co2TeO6 and Na3Co2SbO6 have been proposed as promising candidates for approximating the Kitaev honeycomb model.…

cond-mat.mtrl-sci2022★ 15 cited

Anomalous transverse optic phonons in SnTe and PbTe -- revisited

Zehua Li, Shasha Li, John-Paul Castellan +5

We present a study of the soft transverse optic phonon mode in SnTe in comparison to the corresponding mode in PbTe using inelastic neutron scattering and ab-initio lattice dynamic…

cond-mat.mtrl-sci2021★ 18 cited

Dynamical structural instability and its implication on the physical properties of infinite-layer nickelates

Chengliang Xia, Jiaxuan Wu, Yue Chen +1

We use first-principles calculations to find that in infinite-layer nickelates NiO, the widely studied tetragonal structure is only dynamically stable for early lan…

cond-mat.mtrl-sci2020★ 9 cited

Crystal and Electronic Structure of GaTaSe From First-Principle Calculations

Shuai Zhang, Tiantian Zhang, Hongshan Deng +3

GaTaSe belongs to the lacunar spinel family. Its crystal structures is still a puzzle though there have been intensive studies on its novel properties, such as the Mott ins…

physics.comp-ph2019★ 20 cited

Coexistence of polar displacements and conduction in doped ferroelectrics: an ab initio comparative study

Chengliang Xia, Yue Chen, Hanghui Chen

Polar metals are rare because free carriers in metals screen electrostatic potential and eliminate internal dipoles. Degenerate doped ferroelectrics may create an approximate polar…

cond-mat.mtrl-sci2017

Large Thermal Motion in Halide Perovskites

T. A. Tyson, W. Gao, Y. -S. Chen +2

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic…

cond-mat.mtrl-sci2013★ 53 cited

A first-principles approach to nonlinear lattice dynamics: Anomalous spectra in PbTe

Yue Chen, Xinyuan Ai, C. A. Marianetti

Here we introduce a new approach to compute the finite temperature lattice dynamics from first-principles via the newly developed slave mode expansion. We study PbTe where inelasti…