70 citations · 72 across the 5 of their papers we have counts for
7 papers
Abnormal behavior of Cs polyoxides under high pressure
Yuanhui Sun, Dalar Khodagholian, Peter Müller +4
High-pressure can transform the structures and compositions of materials either by changing the relative strengths of bonds or by altering the oxidation states of atoms. Both effec…
Chemical templates that assemble the metal superhydrides
Yuanhui Sun, Maosheng Miao
The recent discoveries of many metal superhydrides provide a new route to room-temperature superconductors. However, their stability and structure trends and the large chemical dri…
Reverse chemistry of iron in the deep Earth
Xiaoli Wang, Xiaolei Feng, Jianfu Li +6
In this work, we demonstrate a remarkable change of chemical trend of Iron under high pressure that is of great importance for understanding the distribution of elements in the Ear…
High-pressure hybrid materials that can store hydrogen in table salt
Feng Peng, Yanming Ma, Maosheng Miao
We demonstrate in this paper that high pressure can promote the reactions between the ionic compounds and H2 molecules and form thermodynamically stable hybrid compounds. Using cry…
Voltage-Controllable Colossal Magnetocrystalline Anisotropy in Single Layer Transition Metal Dichalcogenides
Xuelei Sui, Tao Hu, Jianfeng Wang +3
Materials with large magnetocrystalline anisotropy and strong electric field effects are highly needed to develop new types of memory devices based on electric field control of spi…
Constructing optimal local pseudopotentials from first principles
Wenhui Mi, Shoutao Zhang, Yanming Ma +1
Local pseudopotential (LPP) is an important component of the orbital free density functional theory (OF-DFT), which is a promising large scale simulation method that can still main…