192 citations · 508 across the 11 of their papers we have counts for
11 papers
First-principles prediction of phase transition of YCo from self-consistent phonon calculations
Guangzong Xing, Yoshio Miura, Terumasa Tadano
Recent theoretical study has shown that the hexagonal YCo is dynamically unstable and distorts into a stable orthorhombic structure. In this study, we show theoretically that t…
Lattice dynamics and its effects on magnetocrystalline anisotropy energy of pristine and hole-doped YCo from first principles
Guangzong Xing, Yoshio Miura, Terumasa Tadano
We study the lattice dynamics effects on the phase stability and magnetocrystalline anisotropy (MCA) energy of CaCu-type YCo at finite temperatures using first-principles c…
Lattice dynamics effects on finite-temperature stability of Fe ( = Y, Ce, Nd, Sm, and Dy) alloys from first principles
Guangzong Xing, Takahiro Ishikawa, Yoshio Miura +2
We report the effects of lattice dynamics on thermodynamic stability of binary Fe compounds (: rare-earth elements, Y, Ce, Nd, Sm, and Dy) at finite tempe…
Evolutionary search for cobalt-rich compounds in the yttrium-cobalt-boron system
Takahiro Ishikawa, Taro Fukazawa, Guangzong Xing +2
Modern high-performance permanent magnets are made from alloys of rare earth and transition metal elements, and large magnetization is achieved in the alloys with high concentratio…
An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties
Zekun Ren, Siyu Isaac Parker Tian, Juhwan Noh +14
Realizing general inverse design could greatly accelerate the discovery of new materials with user-defined properties. However, state-of-the-art generative models tend to be limite…
Structural Instability and Magnetism of Superconducting KCrAs
Guangzong Xing, Ling Shang, Yuhao Fu +4
We find a lattice instability in the superconductor KCrAs, corresponding to a distortion of the Cr metallic wires in the crystal structure. This distortion couples strongly…