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Volumn 79, Issue 4, 2009, Pages

Impact of hydrogen on indium incorporation at m-plane and c-plane In 0.25Ga0.75 N surfaces: First-principles calculations

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EID: 60349090450     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.041306     Document Type: Article
Times cited : (23)

References (26)
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    • 10.1103/PhysRevB.77.205324
    • C. K. Gan and D. J. Srolovitz, Phys. Rev. B 77, 205324 (2008). 10.1103/PhysRevB.77.205324
    • (2008) Phys. Rev. B , vol.77 , pp. 205324
    • Gan, C.K.1    Srolovitz, D.J.2
  • 21
    • 60349084690 scopus 로고    scopus 로고
    • The energy of the In0.25 Ga0.75 N alloy is calculated using a cell containing six Ga, two In, and eight N atoms. The cell dimensions and internal coordinates are fully relaxed. InGaN alloys with this indium concentration are known to be metastable: according to the present work the separation of In and Ga into fully relaxed InN and GaN would lower the energy by ∼0.04 eV per N atom. Such phase separation is inhibited by kinetics for realistic growth temperatures.
    • The energy of the In0.25 Ga0.75 N alloy is calculated using a cell containing six Ga, two In, and eight N atoms. The cell dimensions and internal coordinates are fully relaxed. InGaN alloys with this indium concentration are known to be metastable: according to the present work the separation of In and Ga into fully relaxed InN and GaN would lower the energy by ∼0.04 eV per N atom. Such phase separation is inhibited by kinetics for realistic growth temperatures.
  • 22
    • 0042113153 scopus 로고
    • 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 26
    • 1842816907 scopus 로고
    • 10.1103/PhysRevB.13.5188
    • H. Monkhorst and J. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.1    Pack, J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.