93 citations · 138 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2020★ 93 cited
Old Story New Tell: The Graphite to Diamond Transition Revisited
Sheng-cai Zhu, Xiao-zhi Yan, Jin Liu +2
Graphite and diamond are two well-known allotropes of carbon with distinct physical properties due to different atomic connectivity. Graphite has a layered structure in which the h…
cond-mat.mtrl-sci2018★ 29 cited
Computational Design of Flexible Electrides with Non-trivial Band Topology
Sheng-cai Zhu, Lei Wang, Jing-yu Qu +4
Electrides, with their excess electrons distributed in crystal cavities playing the role of anions, exhibit a variety of unique electronic and magnetic properties. In this work, we…
cond-mat.mtrl-sci2018★ 16 cited
First-principles investigation of Sc-III/IV under High Pressure
Shengcai Zhu, Xiao-Zhi Yan, Scott Fredericks +2
Using ab initio evolutionary structure prediction method in conjunction with density functional theory, we performed a systematic investigation on the structural transition of elem…