activity
20122024
most citedAnharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress

187 citations · 3.1k across the 76 of their papers we have counts for

collaborators
Showing 2019Show all

5 papers · 1 filter

cond-mat.mtrl-sci2019★ 16 cited

Topological semimetallic phase in PbO promoted by temperature

Bo Peng, Ivona Bravić, Judith L. MacManus-Driscoll +1

Materials exhibiting topological order host exotic phenomena that could form the basis for novel developments in areas ranging from low-power electronics to quantum computers. The…

cond-mat.mtrl-sci2019★ 35 cited

Unraveling the topology of ZrTe by changing temperature

Bartomeu Monserrat, Awadhesh Narayan

We study the effects of temperature on the topological nature of ZrTe, which sits near the phase boundary between strong and weak topological insulating orders. Using first-pri…

cond-mat.mtrl-sci2019★ 20 cited

Finite temperature optoelectronic properties of BAs from first principles

Ivona Bravić, Bartomeu Monserrat

The high thermal conductivity of boron arsenide (BAs) makes it a promising material for optoelectronic applications in which thermal management is central. In this work, we study t…

cond-mat.mtrl-sci2019★ 10 cited

Nuclear magnetic resonance spectroscopy as a dynamical structural probe of high pressure hydrogen

Bartomeu Monserrat, Sharon E. Ashbrook, Chris J. Pickard

An unambiguous crystallographic structure solution for the observed phases II-VI of high pressure hydrogen does not exist due to the failure of standard structural probes at extrem…

cond-mat.mtrl-sci2019★ 63 cited

Sub-picosecond photo-induced displacive phase transition in two-dimensional MoTe

Bo Peng, Hao Zhang, Weiwen Chen +6

Photo-induced phase transitions (PIPTs) provide an ultrafast, energy-efficient way for precisely manipulating the topological properties of transition-metal ditellurides, and can b…