Progress in the discovery of new materials has been accelerated by the development of
reliable quantum-mechanical approaches to crystal structure prediction. The properties of a …

Pressure is a fundamental thermodynamic variable that can be used to control the properties
of materials, because it reduces interatomic distances and profoundly modifies electronic …

How to enhance the superconducting critical temperature (T c) has been a primary issue
since the discovery of superconductivity. The highest T c reported so far is 166 K in …

We theoretically give an infinite number of metastable crystal structures for the
superconducting sulfur hydride H x S under pressure. Previously predicted crystalline …

We measured the electrical resistivity of a HgBa2Ca2Cu3O8+ δ (Hg-1223) polycrystalline
sample under high pressure. Owing to the improved sample quality and the nearly …

With the motivation of discovering high-temperature superconductors, evolutionary algorithm
USPEX is employed to search for all stable compounds in the Sn-H system. In addition to the …

We report on the effects of hydrostatic pressure (HP) on the charge density wave observed
in underdoped cuprates. We studied YBa 2 Cu 3 O 6.6 (T c= 61 K) using high-resolution …

Since the discovery of high temperature superconductivity in L a 5− x B ax C u 5 O 5 (3− y) at
an unprecedented T c of 35 K over 35 years ago, high pressure experiments have played a …

Fluorine insertion reactions have been shown to be capable of modifying the physical
properties of metal oxide materials, as a result of the structural and electronic consequences …

Motivated by the recent experimental observation of a large pressure effect on T c in Pr 1− x
Sr x NiO 2, we study the electronic properties of this compound as a function of pressure for …