Xiaofeng Qian

activity

20142022

most citedThe Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design

538 citations · 1.7k across the 16 of their papers we have counts for

collaborators

Showing 2014Show all

3 papers · 1 filter

cond-mat.mtrl-sci2014★ 27 cited

First-principles investigation of organic photovoltaic materials C $_{60}$ , C $_{70}$ , [C $_{60}$ ]PCBM, and bis-[C $_{60}$ ]PCBM using a many-body $G_{0} W_{0}$ -Lanczos approach

Xiaofeng Qian, Paolo Umari, Nicola Marzari

We present a first-principles investigation of the excited-state properties of electron acceptors in organic photovoltaics including C $_{60}$ , C $_{70}$ , [6,6]-phenyl-C $_{61}$ -butyr…

cond-mat.mtrl-sci2014★ 2 cited

Envelope function method for electrons in slowly-varying inhomogeneously deformed crystals

Wenbin Li, Xiaofeng Qian, Ju Li

We develop a new envelope-function formalism to describe electrons in slowly-varying inhomogeneously strained semiconductor crystals. A coordinate transformation is used to map a d…

cond-mat.mtrl-sci2014★ 65 cited

Topological Crystalline Insulator Nanomembrane with Strain-Tunable Band Gap

Xiaofeng Qian, Liang Fu, Ju Li

The ability to fine-tune band gap and band inversion in topological materials is highly desirable for the development of novel functional devices. Here we propose that the electron…

First-principles investigation of organic photovoltaic materials C60​, C70​, [C60​]PCBM, and bis-[C60​]PCBM using a many-body G0​W0​-Lanczos approach

Envelope function method for electrons in slowly-varying inhomogeneously deformed crystals

Topological Crystalline Insulator Nanomembrane with Strain-Tunable Band Gap

First-principles investigation of organic photovoltaic materials C $_{60}$ , C $_{70}$ , [C $_{60}$ ]PCBM, and bis-[C $_{60}$ ]PCBM using a many-body $G_{0} W_{0}$ -Lanczos approach