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Valence-electron distribution in MgB2 by accurate diffraction measurements and first-principles calculations

หน่วยงาน Nanyang Technological University, Singapore

รายละเอียด

ชื่อเรื่อง : Valence-electron distribution in MgB2 by accurate diffraction measurements and first-principles calculations
นักวิจัย : Wu, Lijun , Zhu, Yimei , Vogt, T. , Su, Haibin , Davenport, James W. , Tafto, J.
คำค้น : DRNTU::Engineering::Materials::Magnetic materials.
หน่วยงาน : Nanyang Technological University, Singapore
ผู้ร่วมงาน : -
ปีพิมพ์ : 2547
อ้างอิง : Wu, L., Zhu, Y., Vogt, T., Su, H., Davenport, J. W. & Tafto, J. (2004). Valence-electron distribution in MgB2 by accurate diffraction measurements and first-principles calculations. Physical Review B, 69. , http://hdl.handle.net/10220/6933 , http://dx.doi.org/10.1103/PhysRevB.69.064501
ที่มา : -
ความเชี่ยวชาญ : -
ความสัมพันธ์ : Physical review B
ขอบเขตของเนื้อหา : -
บทคัดย่อ/คำอธิบาย :

We use synchrotron x-ray and precision electron-diffraction techniques to determine accurately the structure factors of reflections that are sensitive to the valence-electron distribution in the superconductor MgB2 . These values deviate significantly from those calculated using the scattering factors of free (or neutral) atoms, but agree well with our calculated structure factors based on density-functional theory. Having experimentally established the reliability of our first-principles-based structure factors, we present electron-density maps of the redistribution of the valence electrons that takes place when hypothetical free atoms of Mg and B in MgB2 interact to form the real crystal.

บรรณานุกรม :
Wu, Lijun , Zhu, Yimei , Vogt, T. , Su, Haibin , Davenport, James W. , Tafto, J. . (2547). Valence-electron distribution in MgB2 by accurate diffraction measurements and first-principles calculations.
    กรุงเทพมหานคร : Nanyang Technological University, Singapore.
Wu, Lijun , Zhu, Yimei , Vogt, T. , Su, Haibin , Davenport, James W. , Tafto, J. . 2547. "Valence-electron distribution in MgB2 by accurate diffraction measurements and first-principles calculations".
    กรุงเทพมหานคร : Nanyang Technological University, Singapore.
Wu, Lijun , Zhu, Yimei , Vogt, T. , Su, Haibin , Davenport, James W. , Tafto, J. . "Valence-electron distribution in MgB2 by accurate diffraction measurements and first-principles calculations."
    กรุงเทพมหานคร : Nanyang Technological University, Singapore, 2547. Print.
Wu, Lijun , Zhu, Yimei , Vogt, T. , Su, Haibin , Davenport, James W. , Tafto, J. . Valence-electron distribution in MgB2 by accurate diffraction measurements and first-principles calculations. กรุงเทพมหานคร : Nanyang Technological University, Singapore; 2547.