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Volumn 77, Issue 23, 2008, Pages

Ab initio investigation of hybrid organic-inorganic perovskites based on tin halides

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EID: 45749157168     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.77.235214     Document Type: Article
Times cited : (411)

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    • The dispersion curves for the different Bravais lattices are shown along the following directions: (i) orthorhombic: Γ (0,0,0) →Z (0,0, 1 2) →T (- 1 2, 0, 1 2) →Y (- 1 2, 0,0) →S (- 1 2, 1 2, 0) →X (0, 1 2, 0) →U (0, 1 2, 1 2) →R (- 1 2, 1 2, 1 2); (ii) tetragonal: Γ (0,0,0) →X (0, 1 2, 0) →M (1 2, 1 2, 0) →Γ (0,0,0) →Z (0,0, 1 2) →R (0, 1 2, 1 2) →A (1 2, 1 2, 1 2) →Z (0,0, 1 2); (iii) cubic: Γ (0,0,0) →R (1 2, 1 2, 1 2) →X (0, 1 2, 0) →M (1 2, 1 2, 0) →Γ (0,0,0) →X (0, 1 2, 0); (iv) monoclinic: C (0, 1 2, 1 2) →Y (0, 1 2, 0) →Γ (0,0,0) →B (- 1 2, 0,0) →D (- 1 2, 0,- 1 2) →E (- 1 2, 1 2, 1 2) →A (- 1 2, 1 2, 0) →Γ (0,0,0) →Z (0,0, 1 2); and (v) triclinic: Γ (0,0,0) →Y (0, 1 2, 0) →Q (0, 1 2, 1 2) →Z (0,0, 1 2) →Γ (0,0,0) →X (1 2, 0,0).
    • The dispersion curves for the different Bravais lattices are shown along the following directions: (i) orthorhombic: Γ (0,0,0) →Z (0,0, 1 2) →T (- 1 2, 0, 1 2) →Y (- 1 2, 0,0) →S (- 1 2, 1 2, 0) →X (0, 1 2, 0) →U (0, 1 2, 1 2) →R (- 1 2, 1 2, 1 2); (ii) tetragonal: Γ (0,0,0) →X (0, 1 2, 0) →M (1 2, 1 2, 0) →Γ (0,0,0) →Z (0,0, 1 2) →R (0, 1 2, 1 2) →A (1 2, 1 2, 1 2) →Z (0,0, 1 2); (iii) cubic: Γ (0,0,0) →R (1 2, 1 2, 1 2) →X (0, 1 2, 0) →M (1 2, 1 2, 0) →Γ (0,0,0) →X (0, 1 2, 0); (iv) monoclinic: C (0, 1 2, 1 2) →Y (0, 1 2, 0) →Γ (0,0,0) →B (- 1 2, 0,0) →D (- 1 2, 0,- 1 2) →E (- 1 2, 1 2, 1 2) →A (- 1 2, 1 2, 0) →Γ (0,0,0) →Z (0,0, 1 2); and (v) triclinic: Γ (0,0,0) →Y (0, 1 2, 0) →Q (0, 1 2, 1 2) →Z (0,0, 1 2) →Γ (0,0,0) →X (1 2, 0,0).


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