Pedro Baptista de Castro

activity

20212023

most citedHigh-pressure Mg-Sc-H phase diagram and its superconductivity from first-principles calculations

36 citations · 82 across the 6 of their papers we have counts for

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3 papers · 1 filter

cond-mat.supr-con2021★ 36 cited

High-pressure Mg-Sc-H phase diagram and its superconductivity from first-principles calculations

Peng Song, Zhufeng Hou, Pedro Baptista de Castro +4

In this work, global search for crystal structures of ternary Mg-Sc-H hydrides (Mg $_{x}$ Sc $_{y}$ H $_{z}$ ) under high pressure ( $100 \leq P \leq 200$ GPa) were performed using the evolutiona…

cond-mat.supr-con2021★ 2 cited

The systematic study on the stability and superconductivity of Y-Mg-H compounds under high pressure

Peng Song, Zhufeng Hou, Pedro Baptista de Castro +4

Motivated by recent discovery of yttrium-based high-temperature ternary superconducting hydrides (e.g., CaYH $_{12}$ , LaYH $_{12}$ , and ScYH $_{6}$ ), we have employed evolutionary alg…

cond-mat.supr-con2021★ 33 cited

High- $T_{c}$ superconducting hydrides formed by LaH $_{24}$ and YH $_{24}$ cage structures as basic blocks

Peng Song, Zhufeng Hou, Pedro Baptista de Castro +4

Based on recent studies regarding high-temperature (high- $T_{c}$ ) La-Y ternary hydrides (e.g., $P 1 ˉ$ -La $_{2}$ YH $_{12}$ , $P m 3 ˉ m$ -LaYH $_{12}$ , and $P m 3 ˉ m$ -(La,Y)H$_{…

High-pressure Mg-Sc-H phase diagram and its superconductivity from first-principles calculations

The systematic study on the stability and superconductivity of Y-Mg-H compounds under high pressure

High-Tc​ superconducting hydrides formed by LaH24​ and YH24​ cage structures as basic blocks

High- $T_{c}$ superconducting hydrides formed by LaH $_{24}$ and YH $_{24}$ cage structures as basic blocks