Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Xing, Guangzong"'
Chemical substitution efficiently optimizes the physical properties of Heusler compounds, especially their anomalous transport properties, including anomalous Hall conductivity (AHC) and anomalous Nernst conductivity (ANC). This study systematically
Externí odkaz:
http://arxiv.org/abs/2309.07722
Recent theoretical study has shown that the hexagonal YCo$_5$ is dynamically unstable and distorts into a stable orthorhombic structure. In this study, we show theoretically that the orthorhombic phase is energetically more stable than the hexagonal
Externí odkaz:
http://arxiv.org/abs/2307.11304
We study the lattice dynamics effects on the phase stability and magnetocrystalline anisotropy (MCA) energy of CaCu$_5$-type YCo$_5$ at finite temperatures using first-principles calculations based on density functional theory (DFT). Harmonic lattice
Externí odkaz:
http://arxiv.org/abs/2112.04124
Publikováno v:
In Acta Materialia 15 May 2024 270
We report the effects of lattice dynamics on thermodynamic stability of binary $R_{1-x}$Fe$_x$ $(0
Externí odkaz:
http://arxiv.org/abs/2102.02590
Publikováno v:
Phys. Rev. Materials 5, 054408 (2021)
Modern high-performance permanent magnets are made from alloys of rare earth and transition metal elements, and large magnetization is achieved in the alloys with high concentration of transition metals. We applied evolutionary search scheme based on
Externí odkaz:
http://arxiv.org/abs/2102.02097
Autor:
Ren, Zekun, Tian, Siyu Isaac Parker, Noh, Juhwan, Oviedo, Felipe, Xing, Guangzong, Li, Jiali, Liang, Qiaohao, Zhu, Ruiming, Aberle, Armin G., Sun, Shijing, Wang, Xiaonan, Liu, Yi, Li, Qianxiao, Jayavelu, Senthilnath, Hippalgaonkar, Kedar, Jung, Yousung, Buonassisi, Tonio
Realizing general inverse design could greatly accelerate the discovery of new materials with user-defined properties. However, state-of-the-art generative models tend to be limited to a specific composition or crystal structure. Herein, we present a
Externí odkaz:
http://arxiv.org/abs/2005.07609
Autor:
Xing, Guangzong, Shang, Ling, Fu, Yuhao, Ren, Wei, Fan, Xiaofeng, Zheng, Weitao, Singh, David J.
Publikováno v:
Phys. Rev. B 99, 174508 (2019)
We find a lattice instability in the superconductor KCr$_3$As$_3$, corresponding to a distortion of the Cr metallic wires in the crystal structure. This distortion couples strongly to both the electronic and magnetic properties, in particular by maki
Externí odkaz:
http://arxiv.org/abs/1903.08457
Autor:
Taddei, Keith M., Xing, Guangzong, Sun, Jifeng, Fu, Yuhao, Li, Yuwei, Zheng, Qiang, Sefat, Athena S., Singh, David J., de la Cruz, Clarina
Publikováno v:
Phys. Rev. Lett. 121, 187002 (2018)
We present neutron total scattering and density functional theory studies on quasi-one-dimensional superconducting K$_2$Cr$_3$As$_3$ revealing a frustrated structural instability. Our first principles calculations find a significant phonon instabilit
Externí odkaz:
http://arxiv.org/abs/1805.03637
Publikováno v:
Phys. Rev. Materials 1, 065405 (2017)
We introduce a simple but efficient electronic fitness function (EFF) that describes the electronic aspect of the thermoelectric performance. This EFF finds materials that overcome the inverse relationship between $\sigma$ and $S$ based on the comple
Externí odkaz:
http://arxiv.org/abs/1708.04499