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Thermoelectric Transport Properties of SrTiO_3 Doped with Pm

机译：掺Pm的SrTiO_3的热电输运性质。

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摘要

Thermoelectric properties of SrTiO_3 doped with 8%Pm at Sr site were investigated using density functional theory and generalized gradient approximation. The transport properties were calculated based on BoltzTraP code at temperature range 300-1200K. In electronic properties study Fermi level were shifted to conduction band region due to high contribution 4f orbital in Pm. Present study thermoelectric figure of merit ZT result was 0.395 at 300K and 0.638 at 1200K. This shows a considerably good value of ZT for SrTiO_3 as n-type oxide. Compared to previous work, ZT were at the range of 0.21 - 0.37 for temperature of 300-1000K in Pr, La, Ta and Ho.
机译：利用密度泛函理论和广义梯度近似研究了在Sr位点掺杂了8％Pm的SrTiO_3的热电性能。基于BoltzTraP代码在300-1200K的温度范围内计算运输性能。在电子性质研究中，费米能级由于Pm中的高贡献4f轨道而转移到了导带区域。目前研究的热电品质因数ZT结果在300K时为0.395，在1200K时为0.638。对于SrTiO_3作为n型氧化物，这表明ZT值相当好。与以前的工作相比，对于Pr，La，Ta和Ho中300-1000K的温度，ZT的范围为0.21-0.37。

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  • 来源
    《Sustainable materials》|2018年|3-8|共6页
  • 会议地点 Bangkok(TH)
  • 作者

    A.A. Adewale; A. Chik; R. Mohd Zaki; F. Che Pa; Y.C. Keat; N.H. Jamil;

  • 作者单位

    Centre for Frontier Materials Research, Universiti Malaysia Perlis, 01000 Kangar, Perlis, Malaysia,School of Materials Engineering, Universiti Malaysia Perlis (UniMAP), Taman Muhibbah 02600, Jejawi, Arau, Perlis, Malaysia;

    Centre for Frontier Materials Research, Universiti Malaysia Perlis, 01000 Kangar, Perlis, Malaysia,Center of Excellence Geopolymer and Green Technology (CEGeoGTech), School of Materials Engineering, Universiti Malaysia Perlis (UniMAP), 02600 Jejawi, Arau, Perlis, Malaysia,School of Materials Engineering, Universiti Malaysia Perlis (UniMAP), Taman Muhibbah 02600, Jejawi, Arau, Perlis, Malaysia;

    Center of Excellence Geopolymer and Green Technology (CEGeoGTech), School of Materials Engineering, Universiti Malaysia Perlis (UniMAP), 02600 Jejawi, Arau, Perlis, Malaysia,School of Materials Engineering, Universiti Malaysia Perlis (UniMAP), Taman Muhibbah 02600, Jejawi, Arau, Perlis, Malaysia;

    Center of Excellence Geopolymer and Green Technology (CEGeoGTech), School of Materials Engineering, Universiti Malaysia Perlis (UniMAP), 02600 Jejawi, Arau, Perlis, Malaysia,School of Materials Engineering, Universiti Malaysia Perlis (UniMAP), Taman Muhibbah 02600, Jejawi, Arau, Perlis, Malaysia;

    Centre for Frontier Materials Research, Universiti Malaysia Perlis, 01000 Kangar, Perlis, Malaysia,School of Materials Engineering, Universiti Malaysia Perlis (UniMAP), Taman Muhibbah 02600, Jejawi, Arau, Perlis, Malaysia;

    Center of Excellence Geopolymer and Green Technology (CEGeoGTech), School of Materials Engineering, Universiti Malaysia Perlis (UniMAP), 02600 Jejawi, Arau, Perlis, Malaysia,School of Materials Engineering, Universiti Malaysia Perlis (UniMAP), Taman Muhibbah 02600, Jejawi, Arau, Perlis, Malaysia;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    SrTiO_3; Pm-doped; Density functional theory; Quantum Espresso; BoltzTraP code; Thermoelectric; Figure of merit;

    机译：SrTiO_3;掺Pm密度泛函理论;量子咖啡; BoltzTraP代码；热电；功绩指标;

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