142 results on '"Ouahrani, T."'
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2. Stability and Thermoelectric Properties of FeZrTe Alloy
3. High-pressure properties of thallium orthovanadate from density-functional theory calculations
4. Structural, electronic, optical, and thermoelectric studies on Zintl SrCd2Pn2 (Pn=P/As) compounds for solar cell applications: A First Principle Approach
5. Unveiling the electronic properties of the Janus HfSSe monolayer and its partially oxygenated counterparts from ab initio calculations
6. Crystal Stability, Chemical Bonding, Optical and Thermoelectric Properties of LaAgZnX2 (X = P, As) Through First Principles Study.
7. First principles study of ternary chalcogenide Sn2Sb2S5 compound for opto-electronic applications
8. Engineering the optical and electronic properties of (AlN)1/(ZnO)1 superlattice by bi-axial stresses
9. Insight into the structural, elastic and electronic properties of tetragonal inter-alkali metal chalcogenides CsNaX (X=S, Se, and Te) from first-principles calculations
10. Electronic, bonding, linear, and nonlinear optical properties of Na2MGe2Q6 (M=Cd, Zn, Hg; Q=S, Se), Na2ZnSi2S6, and Na2ZnSn2S6 two metal-mixed chalcogenide compounds: Insights from an ab initio study
11. A first-principles investigation on electronic, optical and thermoelectric properties of La2Pd2O5 compound
12. Electronic, bonding and elastic properties of the ordered SrTi1-xZrxO3 alloys: a first principles study
13. Electronic, bonding, linear and non-linear optical properties of novel Li2Ga2GeS6 compound
14. Structural, electronic, bonding and thermo-elastic properties of orthorhombic and cubic CeO2 compound
15. From micro-to macroscopic: Understanding optical properties in zinc-blend-derived materials Cu2ZnYX4(X = S, Se, Te, Y = Si, Ge, Sn) by means of the quantum chemical topology analysis
16. Electronic and electrocatalytic properties of PbTiO3: unveiling the effect of strain and oxygen vacancy.
17. Electronic and electrocatalytic properties of PbTiO3: unveiling the effect of strain and oxygen vacancy
18. Structural, elastic, electronic, bonding, and optical properties of BeAZ2 (A = Si, Ge, Sn; Z = P, As) chalcopyrites
19. First principles study of Cu based Delafossite Transparent Conducting Oxides CuXO2 (X=Al, Ga, In, B, La, Sc, Y)
20. Structural, mechanical and electronic properties of sodium based fluoroperovskites NaXF3 (X=Mg, Zn) from first-principle calculations
21. Microscopic partition of pressure and elastic constants in CdTe polymorphs
22. Unraveling Thermal and Dynamical Properties of the Cubic BaVO 3 Perovskite from First-Principles Calculation
23. Electronic Structure of Crystalline Buckyballs: fcc-C60
24. Structure, bonding and stability of semi-carbides M2C and sub-carbides M4C (M=V, Cr, Nb, Mo, Ta, W): A first principles investigation
25. Theoretical prediction of the structural, elastic, electronic, optical and thermal properties of the cubic perovskites CsXF3 (X = Ca, Sr and Hg) under pressure effect
26. Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb
27. FP-LAPW investigation of structural, electronic, linear and nonlinear optical properties of ZnIn 2Te 4 defect-chalcopyrite
28. First-principles study of structural, electronic, linear and nonlinear optical properties of Ga2PSb ternary chalcopyrite
29. Electronic Structure and Magnetic Properties of OsCrMnSb and IrCrMnSb from Ab Initio Calculations
30. Electronic, elastic, thermodynamic and vibrational properties of Li6BeZrF12: Insights from DFT-based computer simulation
31. Electronic, bonding and elastic properties of the ordered $${\hbox {SrTi}}_{1-x} {\hbox {Zr}}_{x} \hbox {O}_{3}$$ alloys: a first principles study
32. A first-principles investigation on electronic, optical and thermoelectric properties of $$\hbox {La}_{2}\hbox {Pd}_{2}\hbox {O}_{5}$$ compound
33. Full potential calculations and atom in molecule analysis of the bonding properties of perovskites Borides XRh3B (X=Dy, Ho, Er)
34. Electronic, bonding and optical properties of the LiGaGe2X6 (X = S, Se, and Te) compounds: An ab initio study
35. An insight into electronic and optical properties of the chalcopyrite CuGaSe2 compound under low pressure, calculations from mBJ potential and topological analysis of electron density
36. Electronic Structure and Magnetic Properties of OsCrMnSb and IrCrMnSb from AbInitio Calculations.
37. Density functional theory calculation of the optical properties and topological analysis of the electron density of MBi2B2O7 (M = Ca,Zn) compounds.
38. (BN)1/(InN)1, (AlN)1/(InN)1 and (GaN)1/(InN)1 (001) superlattices: An opto-electronic and bonding properties
39. Quantum-mechanical simulations of pressure effects on MgIn2S4 polymorphs
40. Unraveling Thermal and Dynamical Properties of the Cubic BaVO3 Perovskite from First-Principles Calculation
41. Hysteresis and bonding reconstruction in the pressure-induced B3–B1 phase transition of 3C-SiC
42. Unraveling Thermal and Dynamical Properties of the Cubic $$\mathrm{BaVO}_3$$ BaVO 3 Perovskite from First-Principles Calculation
43. Structural, electronic, bonding and thermo-elastic properties of orthorhombic and cubic CeO 2 compound
44. Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses
45. Quantum-mechanical simulations of pressure effects on MgIn2S4 polymorphs.
46. FP-LAPW investigation of structural, electronic, linear and nonlinear optical properties of ZnIn2Te4 defect-chalcopyrite
47. Electronic Structure of Crystalline Buckyballs: fcc-C60
48. ChemInform Abstract: Structural, Elastic, Electronic, Bonding, and Optical Properties of BeAZ2(A: Si, Ge, Sn; Z: P, As) Chalcopyrites
49. Structural and thermodynamic properties of SbAsGa 2 and SbPGa 2 chalcopyrites
50. Local and global properties of the ordered double perovskite Sr2YTaO6: anab initiostudy
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