981 results on '"Khenata, R."'
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2. Structural electronic and optical properties of chalcopyrite compounds AuMTe2 (M = Ga, In) from first-principles calculation
3. A study on the structural, electronic and thermal properties of CdSiP2, CdSnP2 and their mixed crystals CdSi1–xSnxP2
4. An accurate DFT insights into optoelectronic, magnetic, thermodynamic and thermoelectric characteristics of monoclinic spiroffite Co2Te3O8
5. Exploring structural phase transition, electronic and optical characteristics of optoelectronic phosphides XSiP2 (X = Mg, Cd, and Zn) through First principle computation
6. Electronic, elastic, and thermodynamic properties of Cd0.75TM0.25S (TM = Os or Ir) alloys with the TB-mBJ approach and hybrid density functional (HSE06)
7. Structural, Electronic, and Magnetic Characteristics of Co1-xFexMnSb: Insight from DFT Computation
8. First-principles calculations of structural, elastic, electronic, magnetic, optical, thermoelectric, and dynamic properties of CoCrTe half-Heusler compound
9. Investigating of structural, electronic, magnetic, dynamic, and thermoelectric properties of CoCrSe half-Heusler compound using FP-LAPW method
10. Insight into the structural, electronic, optical, thermodynamic and thermoelectric properties of the cubic PbSiO3 Perovskite: A first-principles computation
11. K2Ag(Ga/In)Br6 lead-free HDPs: Investigation of the elastic, optoelectronic, optical coating, and thermal characteristics for thermoelectric and solar cells
12. An in-depth look at the stability, electronic structure, mechanical properties, and thermodynamics characteristic of Ir3TM (TM: Sc, Ti, V) compounds
13. Compilation and deciphering Sr2AlMoO6 physical properties: An accurate benchmark DFT simulations
14. Exploring optoelectronic, optical thin films, mechanical and thermal transport properties of bromide double perovskites Rb2Ag(Ga/In)Br6 for photovoltaic and thermoelectric applications
15. First-principles investigations of physical properties of CdXP2 (X = Si, Ge, and Sn) ternary chalcopyrite
16. Phase stability and physical behaviour of Fe3Pd, FePd and FePd3 binary intermetallic compounds
17. Theoretical investigations of Zr-concentration influence on the thermodynamic, elastic, electronic, and structural stability of D022/L12-Al3Ti
18. Structural, electronic, optical, elastic, mechanical, thermodynamic, and thermoelectric properties of lead-free and environmentally friendly CsSnX3 (X = Cl, Br) perovskites
19. First-principles prediction of optoelectronic and thermoelectric properties of novel materials A2PdCl6 for Photovoltaic Applications
20. Mechanical Stability, Electronic, and Magnetic Properties of XZrAs (X = Cr, Mn, V) Half-Heusler Compounds
21. Structural, electronic, optical, and thermoelectric studies on Zintl SrCd2Pn2 (Pn=P/As) compounds for solar cell applications: A First Principle Approach
22. Theoretical investigation of Ca0.75Cd0.25X (X = S, Se), a novel ternary alloy, in light of its structural, elastic, electronic, and optical properties
23. Vibrational, mechanical, electronic and thermodynamic properties of rhenium-based perovskites XReO3(X = Li, Be) by an ab-initio computation
24. Insight into physical properties of carbon-doped BeSiP2 and BeGeP2 chalcopyrite: An ab initio study
25. Theoretical insight on the electronic band structure, mechanical, vibrational and thermodynamic characteristic of antiperovskites RE3InN (RE=Y and La)
26. Ab initio predictions of the structural, electronic, optical, elastic, and thermoelectric properties of quasi-two-dimensional BaFZnP
27. New investigated lead free double perovskite materials Rb2LiBiX6 (X= Cl, F, Br, I) for optoelectronics and solar cell applications via first principle calculations
28. Electronic and Magnetic Properties of Mn2YSn (Y = Ru, Rh, and Pd) Heusler Alloys Under Hydrostatic Pressure
29. Theoretical investigation of phonon modes related to first Brillouin zone centre and properties of double perovskites Ba2MWO6 (M=Mg, Zn, Cd)
30. Electronic band structure, mechanical and optical characteristics of new lead-free halide perovskites for solar cell applications based on DFT computation
31. First-principle investigations of structural, electronic, thermal, and mechanical properties of AlP1−xBix alloys
32. Ab initio study of the pressure dependence of mechanical and thermodynamic properties of GeB2O4 (B = Mg, Zn and Cd) spinel crystals
33. Lattice-Dynamical, Elastic and Thermo-Dynamical Properties of GaAs, InAs, and their Mixed Ga1-xInxAs Alloys
34. The effect of 3d states on band structure feature, optical and magnetic properties of TM-doped CdS: a theoretical insights
35. A study of the structural, thermodynamic, magnetic, and optoelectronic properties of the Dy2Be2GeO7 complex oxide via ab initio methods
36. Elastic, electronic, optical and thermoelectric properties of the novel Zintl-phase Ba2ZnP2
37. A comprehensive study of mechanical, optoelectronic, and magnetic insights into terbium orthovanadate TbVO4 via first-principles DFT approach
38. Density functional theory investigation of the phase transition, elastic and thermal characteristics for AuMTe2(M = Ga,In) chalcopyrite compounds.
39. A study on the structural, electronic and thermal properties of CdSiP2, CdSnP2 and their mixed crystals CdSi1–xSnxP2.
40. Analysis of physical properties of the orthorhombic perovskite compound EuCrO3 using DFT approach
41. Insight into the Structural, Magneto-electronic, and Mechanical Characteristic of Y2MnZ (Z = Al, Ga, In) via DFT Computation
42. Effects of alloying chalcopyrite CuTlSe2 with Na on the electronic structure and thermoelectric coefficients: DFT investigation
43. Structural, elastic, mechanical, and thermodynamic characteristic of NaReO3 and KReO3 perovskite oxides from first principles study
44. Structural, magnetic, and optoelectronic properties of new ferromagnetic semiconductors Cd0.75Os0.25S and Cd0.75Ir0.25S: Insight from DFT computations
45. First principles study of the structural, elastic, electronic and optical properties of the ternary alloys Ca0.75Zn0.25S and Ca0.75Zn0.25Se
46. Equiatomic quaternary Heusler compounds TiVFeZ (Z=Al, Si, Ge): Half-metallic ferromagnetic materials
47. Structural, optoelectronic, optical coating and thermoelectric properties of the chalcogenides type Kesterite Ag2CdSnX4 (with X=S, Se): A computational insight
48. Electronic structure, mechanical and thermoelectric properties of the full Heusler Ba2AgZ (Z = Bi, Sb) alloys: insights from DFT study
49. Mechanical and thermodynamical properties of Fe2CoAl a full-Heusler alloy under hydrostatic pressure: A DFT study
50. Ab initio exploration of the structural, elastic, electronic and optical properties of a new layered perovskite-type oxyfluoride: CsSrNb2O6F
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