ShengHai Fan

Dr. ShengHai Fan

orcid

Research Focus & Metrics

Academic Career Length

2Years (2025-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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4 August 2025 in Crystals
Verified
Journal Article
Open access
PDF file
SFShengHai Fan
ShengHai Fan
XZXuelin Zhang
Xuelin Zhang
HHHaijun Hou
Haijun Hou
QLQingyuan Liu
Qingyuan Liu
HGHongLi Guo
HongLi Guo
Calcium carbonate (CaCO3) has attracted considerable attention owing to its structural versatility and broad applications in materials science and geochemistry. In this study, we employed Density Functional Theory (DFT) simulations to systematically investigate the structural, elastic, and dynamic properties of trigonal CaCO3 under hydrostatic pressures ranging from 0 to 1.2 GPa. The optimized lattice constants closely align with previous theoretical and experimental values, thereby confirming the reliability of the computational approach. Mechanical stability was validated across the entire pressure range, with elastic constants and moduli demonstrating gradual increases under compressive strain. Elastic anisotropy was rigorously quantified using universal anisotropy indices, three-dimensional surface visualizations, and directional projections of elastic moduli. These analyses revealed pronounced pressure-dependent anisotropy. Furthermore, optical properties, including refractive indices and dielectric functions, were analyzed to clarify pressure-induced variations in electromagnetic interactions. These findings offer valuable insights into the pressure behavior of CaCO3, advancing its potential applications in advanced functional materials and geophysical research.

26 July 2025 in Indian Journal of Physics
Verified
Journal Article
Closed access
PDF file
SFShengHai Fan
ShengHai Fan
XZXueLin Zhang
XueLin Zhang
MLMingJun Liao
MingJun Liao
LMLiCheng Ma
LiCheng Ma
YHYongYing Hong
YongYing Hong
HGHongLi Guo
HongLi Guo