All Stories

  1. Structural, magnetic, and optoelectronic study of the scandium and yttrium based barium ruthenate double perovskites
  2. Modeling the structure and stability of compact stars in f(R,T) gravity using Tolman–Kuchowicz spacetime
  3. Structural phase transition and optoelectronic properties of lead-free AgNb1-xTaxO3 (x = 0, 0.5 and 1) perovskite systems
  4. Structural, dielectric, and electrical properties of the spinel ferrites nanoparticles Cu1−xCoxFe2−yCryO4
  5. Atomic hyperentangled complex graph states engineering for secure quantum communication
  6. Structural stability, optoelectronic properties and solar cell efficiency of the perovskites M2AgInBr6(M=K and Rb)
  7. Coherent manipulation of Goos–Hänchen shifts by forward and backward currents of complex conductivity in chiral medium
  8. Coherent control of tunneling-based photonic lattice unit cells through an induced chiral atomic medium
  9. Periodic modulation of the Casimir force in a 1D chiro- optical lattice
  10. Vectorial spatial solitons of left and right circularly polarized beams in a chiral atomic medium using complex light fields with spatial structure
  11. Assessment of the potential and application of Be12O12 nanocage for removal of ciprofloxacin from water employing density functional theory
  12. Seasonal variations of particulate matter in two size fractions (PM 2.5 and PM 10 ) and their relationship with meteorological parameters in Lahore, P...
  13. Engineering of hyperentangled complex quantum networks
  14. Experimental and DFT Studies of Antibiotics Removal Through Activated Carbon: A Step‐by‐Step Adsorption Process at Atomic Level
  15. Electronic, optical and photocatalytic properties of 2D penta-Pd2Pt2P4X2Y2 (X ≠ Y = S, Se, Te) Janus monolayers: a first principles study
  16. Quantum computational analysis of strain induced electronic and thermoelectric properties of H phase and T phase coupled TMDs van der Waal heterostructures
  17. Experimental and DFT investigation of ciprofloxacin adsorption onto ultra-high porous activated carbon from aqueous solutions
  18. Coherent manipulation of giant birefringent Goos–Hänchen shifts by compton scattering using chiral atomic medium
  19. Effect of cerium doping on the structure, magnetic, electric and dielectric properties of spinel nano-magnets Mn0.5Zn0.5Fe2O4
  20. Two-dimensional III-nitrides: A comprehensive DFT and thermodynamics studies
  21. Efficient detection of nitric oxide a biomarker associated with COVID19 via N, P co-doped C60 fullerene: a computational study
  22. Coherent manipulation of vectorial soliton beam in sodium like atomic medium
  23. Optical and photocatalytic studies of the novel 2D penta-M4P4X2Y2 (M=Pd, Pt; X≠Y S, Se, Te) Janus monolayers
  24. DENSITY FUNCTIONAL THEORY-BASED QUANTUM COMPUTATIONAL STRAIN ENGINEERING OF ELECTRONIC AND THERMOELECTRIC PROPERTIES OF AsXY (X=S, Se and Y=Cl, Br, I) MONOLAYER
  25. Enhanced negative refraction in one- and two-dimensional chiral atomic lattices
  26. Systematic surface bowing in 2D III-nitride monolayers
  27. Probing bounce dynamics via Higher-Order Gauss-Bonnet modifications
  28. Cr(VI) sequestration by activated carbon: experimental and theoretical study
  29. Exploring the viability of static spherical wormholes in f(G, T) gravity
  30. Fluorine derivatives of piceatannol for photobiological and photophysical applications by DFT approach
  31. Quinone functionalized highly porous polymer as cathode material for Mg ion batteries: A DFT study
  32. Manipulation of sensitivity of the surface plasmon polariton waves at the interface of high magneto-optical medium and silver metal using angular interrogation
  33. Morphological, Mineralogical, and Biochemical Characteristics of Particulate Matter in Three Size Fractions (PM10, PM2.5, and PM1) in the Urban Environment
  34. Topological localized region of Goos-Hänchen shifts in reflection and transmission
  35. Effect of strain and stacking on electronic structure, optical and photocatalytic performance of monolayer XO2 (X = Ti, Ni and Ge)
  36. Use of a Porous Phenanthrenequinone Polymer-Based Cathode in Mg-Ion Batteries
  37. Theoretical Investigations of the Electric Field Gradient and Magnetic Properties of Lanthanide Di-gallium RGa$$_2$$ (R=Ce, Pr, Nd, Sm, Gd)
  38. Small polaron formation on the Nb-doped SrTiO3 (001) surface
  39. Intriguing optical and photocatalytic properties of pentagonal penta-PtPS, -PtPSe and -PtPTe monolayers: A first-principle study
  40. Spontaneously generated coherence in a four-level atomic system under induced chirality: Quantum control of the Casimir force
  41. Density functional theory-based quantum-computational analysis on the strain-assisted electronic and photocatalytic properties of BX-MSSe (X = P, As and M = Mo, W) heterostructures
  42. First-principles calculations to investigate physical properties of three magnetic sub lattice CaCu3Mn4-xIrxO12 (x = 0, 2 and 4) system via symmetry evaluation
  43. The influence of mixed classical dephasing noisy channels on the dynamics of two-qubit correlations
  44. Lead-free Dion–Jacobson halide perovskites CsMX2Y2 (M = Sb, Bi and X, Y = Cl, Br, I) used for optoelectronic applications via first principle calculations
  45. Generation of maximally entangled N-photon field W-states via cavity QED
  46. First principle study of benzoquinone based microporous conjugated polymers as cathode materials for high-performance magnesium ion batteries
  47. Exploring the Mass Concentration of Particulate Matter and Its Relationship with Meteorological Parameters in the Hindu-Kush Range
  48. Thermoelectric, optoelectronic and magnetic properties of BaLn2ZnO5 (Ln = Eu, Pr, Sm) insulators by GGA/mBJ + U exchange-correlation approaches
  49. Silicon-doped boron nitride graphyne-like sheet for catalytic N2O reduction: A DFT study
  50. Theoretical insight of ciprofloxacin removal from water using boron nitride (B12N12) nanocage
  51. Density functional theory-based quantum-computational analysis on the strain-assisted phononic, electronic, photocatalytic properties and thermoelectric performance of monolayer Janus SnSSe
  52. Structural and optoelectronic properties of CsLnZnTe3 (Ln = La, Pr, Nd and Sm)
  53. Fabrication and Ions Irradiation Study of AlN:Gd Thin Films
  54. Selective sensing of NH3 and CH2O molecules by novel 2D porous hexagonal boron oxide (B3O3) monolayer: A DFT approach
  55. Revealing the quasiparticle electronic and excitonic nature in cubic, tetragonal, and hexagonal phases of FAPbI3
  56. Strain effect on the electronic and photocatalytic properties of GaN-MSSe (M=Mo, W)
  57. Co Anchored B 36 Cluster as a Novel Single Atom Catalyst for Removing Toxic CO Molecules: A Mechanistic First‐Principles Study
  58. Teleportation of atomic external states on the internal degrees of freedom
  59. In-Depth Analysis of Physicochemical Properties of Particulate Matter (PM10, PM2.5 and PM1) and Its Characterization through FTIR, XRD and SEM–EDX Techniques in the Foothills of the Hindu Kush Region of Northern Pakistan
  60. Electronic structure and magnetic properties of the perovskites SrTMO3 (TM = Mn, Fe, Co, Tc, Ru, Rh, Re, Os and Ir)
  61. Intriguing electronic, optical and photocatalytic performance of BSe, M2CO2 monolayers and BSe–M2CO2 (M = Ti, Zr, Hf) van der Waals heterostructures
  62. Hyperentanglement teleportation through external momenta states
  63. Al-decorated C24N24 fullerene: A robust single-atom catalyst for CO oxidation
  64. Electronic structure, optical and magnetic properties of double Perovskites La2MTiO6 (M = Co, Ni, Cu and Zn)
  65. Structural features and dielectric behavior of Al substituted Cu0.7Ni0.3Fe2O4 ferrites
  66. Coherent Surface Plasmon Hole Burning via Spontaneously Generated Coherence
  67. First-principles investigation on electronic structure, magnetic states and optical properties of Mn-doped SnS2 monolayer via strain engineering
  68. Spin-orbit coupling effect on the optoelectronic and thermoelectric properties of the perovskites A3SnO (A = Ca, Sr and Ba)
  69. Strain engineering of Janus ZrSSe and HfSSe monolayers and ZrSSe/HfSSe van der Waals heterostructure
  70. Effect of strain on structural and electronic properties, and thermoelectric response of MXY (M=Zr, Hf and Pt; X/Y=S, Se) vdW heterostructures; A first principles study
  71. Tuning the Properties of Novel Magnetic Oxide via Co–Bi Co-substitution Including Theoretical Background of Characterization Techniques
  72. Removal of nitrous and carbon mono oxide from flue gases by Si-coordinated nitrogen doped C60-fullerene: A DFT approach
  73. Structural, electrical and optical characterizations of yttrium doped aluminum nitride thin films before and after ions irradiation
  74. Enhanced dispersive properties of graphene plasmons on substrates of composite materials
  75. Selective adsorption of CO2 from gas mixture by P-decorated C24N24 fullerene assisted by an electric field: A DFT approach
  76. Coherent control of surface plasmon polariton via spontaneously generated coherence
  77. Response of structural and optical properties against proton irradiation in AlN:Tm thin films
  78. Magneto-optical rotation of surface plasmon polaritons
  79. The effect of potassium insertion on optoelectronic properties of cadmium chalcogenides
  80. Enhanced cross-Kerr nonlinearity induced PT -symmetry in optical lattices
  81. First principle study of band gap nature, spontaneous polarization, hyperfine field and electric field gradient of desirable multiferroic bismuth ferrite (BiFeO3)
  82. Silicon carbide and III-Nitrides nanosheets: Promising anodes for Mg-ion batteries
  83. Electronic structure and magnetic properties of the Mg-rich intermetallic NdNiMg5 by hybrid density functional theory
  84. Theoretical studies of CsSnX3 (X = Cl, Br and I) for energy storage and hybrid solar cell applications
  85. Elastic and Optoelectronic Properties of Cs2NaMCl6 (M = In, Tl, Sb, Bi)
  86. Investigation of the Goos-Hänchen shift in an optomechanical cavity via quantum control
  87. Removal of azo dye from aqueous solution by a low-cost activated carbon prepared from coal: adsorption kinetics, isotherms study, and DFT simulation
  88. Effects of A-Site cation on the Physical Properties of Quaternary Perovskites AMn3V4O12 (A= Ca, Ce and Sm)
  89. Control of surface plasmon-polaritons at interfaces between triple quantum dots and nanocomposites
  90. Black Carbon aerosol characteristics and radiative forcing over the high altitude glacier region of Himalaya-Karakorum-Hindukush
  91. Electronic and optical properties of group IIA-IVB cubic perovskite oxides: Improved TB-mBJ study
  92. Optical activity and excitation of surface plasmon polaritons with electromagnetically induced chiral media
  93. Density functional theory study of emerging pollutants removal from water by covalent triazine based framework
  94. Irradiation effects on Nd and W doped Aluminum Nitride thin films
  95. Electronic structure and magnetic properties of the quaternary perovskites LnMn3V4O12 (Ln = La, Nd and Gd)
  96. Synergetic Effect of Calcium Doping on Catalytic Activity of Manganese Ferrite: DFT Study and Oxidation of Hydrocarbon
  97. Effects of Ni Substitution on the Electronic Structure and Magnetic Properties of Perovskite SrFeO3
  98. Theoretical Investigations of Quaternary Semiconductors CsInCdTe3 (Ln = La, Pr, Nd and Sm)
  99. Influence of electric field on CO2 removal by P-doped C60-fullerene: A DFT study
  100. Influence of Cr and Zn substitution on structural, magnetic and dielectric properties of Sr2-xZnxNi2Fe28-yCryO46 X-type hexagonal ferrite
  101. Structural, microwave permittivity, and complex impedance studies of cation (Cr, Bi, Al, In) substituted SrNi-X hexagonal nano-sized ferrites
  102. A first-principles study of electronic structure and photocatalytic performance of GaN–MX2 (M = Mo, W; X= S, Se) van der Waals heterostructures
  103. Intriguing electronic structure and photocatalytic performance of blueP–SMSe and blueP–SeMS (M = Mo, W) van der Waals heterostructures
  104. Tunable relativistic quasiparticle electronic and excitonic behavior of the FAPb(I1−xBrx)3 alloy
  105. van der Waals heterostructures based on MSSe (M = Mo, W) and graphene-like GaN: enhanced optoelectronic and photocatalytic properties for water splitting
  106. Electronic Structure, Mechanical and Magnetic Properties of the Quaternary Perovskites CaA3V4O12 (A = Mn, Fe, Co, Ni and Cu)
  107. First principles studies of CsLnCdTe3 (Ln = Gd−Tm) for green energy resources
  108. WITHDRAWN: Irradiation effects on Nd and W doped Aluminum Nitride thin films
  109. Physical properties and possible applications of gold-based rare earth intermetallics (R-Au): A review
  110. Rashba spin splitting and photocatalytic properties of GeC−MSSe (
  111. Van der Waals heterostructures of blue phosphorene and scandium-based MXenes monolayers
  112. Control of the Faraday rotation via electromagnetically induced transparency medium and graphene metasurfaces
  113. Intriguing electronic and optical properties of M2CX2 (M = Mo, W; X = O, F) MXenes and their van der Waals heterostructures
  114. Spatio-temporal variations of absorbing aerosols and their relationship with meteorology over four high altitude sites in glaciated region of Pakistan
  115. First-principles study of BiFeO3 and BaTiO3 in tetragonal structure
  116. A computational study on the characteristics of open-shell H-bonding interaction between carbamic acid (NH2COOH) and HO2, HOS or HSO radicals
  117. Erratum to “First-principles study of structural, electronic, magnetic and thermoelectric properties of the cubic mono-pnictides of thorium ThPn (Pn = Sb and Bi)” [Comput. Condens. Matter 13 (2017) 111–119]
  118. Predictions of bandgap and subbands of γ−Al2O3 in presence of intrinsic point defects by DFT+TB-mBJ
  119. Temporal characteristics of aerosol optical properties over the glacier region of northern Pakistan
  120. Computational Study of Ru2TiZ (Z = Si, Ge, Sn) for Structural, Mechanical and Vibrational Properties
  121. Enhanced and highly tunable Goos-Hänchan shifts at a nanocomposite-graphene interface
  122. Van der Waals heterostructures of P, BSe, and SiC monolayers
  123. Theoretical investigation of electronic structure and thermoelectric properties of MX2 (M=Zr, Hf; X=S, Se) van der Waals heterostructures
  124. Incoherent and coherent manipulation of surface plasmon hole burning
  125. First-Principles Study of Perovskite Molybdates AMoO3 (A = Ca, Sr, Ba)
  126. Optoelectronic and solar cell applications of Janus monolayers and their van der Waals heterostructures
  127. Theoretical investigations of thermoelectric phenomena in binary semiconducting skutterudites
  128. Structural, Thermal and Luminescence Properties of AlN:Tm Thin Films Deposited on Silicon Substrate and Optical Fiber
  129. Strongly correlated intermetallic rare-earth monoaurides (Ln-Au): Ab-initio study
  130. Cross-Kerr nonlinearity in the surface plasmon polariton waves generated at the interface of graphene and gain medium
  131. Unusual refraction and Fizeau effect for a linearly polarized pulse in rotary chiral media
  132. Theoretical studies of the electronic structure and magnetic properties of aluminum-rich intermetallic alloy Al13Fe4
  133. First principle studies of structural, magnetic and elastic properties of orthorhombic rare-earth diaurides intermetallics RAu2 (R=La, Ce, Pr and Eu)
  134. Tunable surface plasmon polaritons at the surfaces of nanocomposite media
  135. IRelast package
  136. DFT study on thermo-elastic properties of Ru2FeZ (Z = Si, Ge, Sn) Heusler alloys
  137. Theoretical studies of cubic AuCu3-type intermetallic actinide compounds NpPx3 (Px=Al, Ga, In)
  138. Theoretical investigation of thermoelectric and elastic properties of intermetallic compounds ScTM (TM = Cu, Ag, Au and Pd)
  139. Intriguing electronic structures and optical properties of two-dimensional van der Waals heterostructures of Zr2CT2 (T = O, F) with MoSe2 and WSe2
  140. Electronic structure, optical and photocatalytic performance of SiC–MX2 (M = Mo, W and X = S, Se) van der Waals heterostructures
  141. On the Morphology and Composition of Particulate Matter in an Urban Environment
  142. Electron correlation and spin-orbit coupling effects in scandium intermetallic compounds ScTM (TM = Co, Rh, Ir, Ni, Pd, Pt, Cu, Ag and Au)
  143. First-Principles Study of Electronic Structure, Mechanical, and Thermoelectric Properties of Ternary Palladates CdPd3O4 and TlPd3O4
  144. Electric field gradient analysis of RIn 3 and RSn 3 compounds (R = La, Ce, Pr and Nd)
  145. Hyperfine field, electric field gradient, quadrupole coupling constant and magnetic properties of challenging actinide digallide
  146. First-principles study of structural, electronic, magnetic and thermoelectric properties of the cubic mono-pnictides of thorium Th Pn ( Pn = Sb and Bi)
  147. 125 Te NMR shielding and optoelectronic spectra in XTe 3 O 8 (X = Ti, Zr, Sn and Hf) compounds: Ab initio calculations
  148. Electronic and Magnetic Structures, Magnetic Hyperfine Fields and Electric Field Gradients in UX3 (X = In, Tl, Pb) Intermetallic Compounds
  149. Control of slow-to-fast light and single-to-double optomechanically induced transparency in a compound resonator system: A theoretical approach
  150. Effects of cobalt substitution on the physical properties of the perovskite strontium ferrite
  151. Structural, electronical and thermoelectric properties of CdGa2S4 compound under high pressures by mBJ approach
  152. Role of the Crystal Lattice Constants and Band Structures in the Optoelectronic Spectra of CdGa2S4by DFT Approaches
  153. Structural, electronic and optical properties of CsPbX3 (X=Cl, Br, I) for energy storage and hybrid solar cell applications
  154. Cavity electromagnetically induced transparency via spontaneously generated coherence
  155. First-principle studies of the optoelectronic properties of ASnF3 (A = Na, K, Rb and Cs)
  156. Comparative study of thermoelectric properties of Co based filled antimonide skutterudites with and without SOC effect
  157. 127I NMR calculations in binary metal iodides by PBE-GGA, YS-PBE0 and mBJ exchange correlation potentials
  158. Structural, Mechanical and Optoelectronic Properties of Y2M2O7 (M = Ti, V and Nb) Pyrochlores: A First Principles Study
  159. Effects of chemical potential on the thermoelectric performance of alkaline-earth based skutterudites (AFe4Sb12, ACa, Sr and Ba)
  160. Metal mono-chalcogenides ZnX and CdX (X = S, Se and Te) monolayers: Chemical bond and optical interband transitions by first principles calculations
  161. First principle studies of electronic and magnetic properties of Lanthanide-Gold (RAu) binary intermetallics
  162. Strain engineering of electronic structures and photocatalytic responses of MXenes functionalized by oxygen
  163. Thermoelectric and phononic properties of (Gd, Tb) MnO3 compounds: DFT calculations
  164. First-principle studies of the ternary palladates CaPd3O4 and SrPd3O4
  165. Morphological, Raman, electrical and dielectric properties of rare earth doped X-type hexagonal ferrites
  166. Corrigendum: Conductivity dependent surface plasmon polariton propagation (2016 Laser Phys. 26 095204)
  167. DFT and post-DFT studies of metallic MXY3-type compounds for low temperature TE applications
  168. Conductivity dependent surface plasmon polariton propagation
  169. First-principles studies of pure and fluorine substituted alanines
  170. Pressure dependency of localization degree in heavy fermion CeIn3: A density functional theory analysis
  171. Role of nitrogen vacancies in cerium doped aluminum nitride
  172. Time gap for temporal cloak based on spectral hole burning in atomic medium
  173. First-principles studies of pure and fluorine substituted alanines
  174. Thermoelectric studies of IV–VI semiconductors for renewable energy resources
  175. Electronic Band Structures of the Highly Desirable III–V Semiconductors: TB-mBJ DFT Studies
  176. Controlling Casimir force via coherent driving field
  177. The Influence of Oxygen Substitution on the Optoelectronic Properties of ZnTe
  178. Structural, optical, and electrical characteristics of AlN:Ho thin films irradiated with 700keV protons
  179. Atom Microscopy via Dual Resonant Superposition
  180. Theoretical studies of the osmium based perovskites AOsO3 (A=Ca, Sr and Ba)
  181. Electronic Structure of Crystalline Buckyballs: fcc-C60
  182. Electronic band structures of binary skutterudites
  183. Spectral Hole Burning via Kerr Nonlinearity
  184. Structural and magnetic properties of TlTF3 (T=Fe, Co and Ni) by hybrid functional theory
  185. Energy level splitting and luminescence enhancement in AlN:Er by an external magnetic field
  186. Structural and optoelectronic properties of Mg substituted ZTe (Z=Zn, Cd and Hg)
  187. Luminescence Enhancement in Amorphous AlN:W by Co-Doped Gd+3
  188. Theoretical studies of the paramagnetic perovskites MTaO3 (M = Ca, Sr and Ba)
  189. Temporal cloak via Doppler broadening
  190. Magneto-electronic studies of the inverse-perovskite (Eu3O)In
  191. Thermoelectric properties of metallic antiperovskites AXD3 (A=Ge, Sn, Pb, Al, Zn, Ga; X=N, C; D=Ca, Fe, Co)
  192. Structural Analysis and Infrared Emission from Ti+3 Doped AlN Deposited on Si(100) and Si(111) Substrates and Optical Fibers
  193. Superposition of Stationary Wave Fields Via Atom Microscopy
  194. Structural and thermoelectric properties of pure and La, Y doped HoMnO3 for their use as alternative energy materials
  195. Elastic and mechanical properties of lanthanide monoxides
  196. Antiperovskite compounds SbNSr3 and BiNSr3: Potential candidates for thermoelectric renewable energy generators
  197. Effects of dangling bonds and diameter on the electronic and optical properties of InAs nanowires
  198. Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory
  199. Mechanical properties and variation in SOC going from La to Nd in intermetallic RIn3 and RSn3 (R = La, Ce, Pr, Nd)
  200. Ab initio studies of electric field gradients and magnetic properties of uranium dipnicties
  201. Optical properties of ideal γ-Al2O3 and with oxygen point defects: an ab initio study
  202. Structural, Mechanical and Magneto-Electronic Properties of the Ternary Sodium Palladium and Platinum Oxides
  203. DFT-mBJ Studies of the Band Structures of the II-VI Semiconductors
  204. Elastic constants of cubic crystals
  205. Investigation of the optical properties of P, As and Sb incorporated AlGaX alloys using full potential linearized augmented plane wave method
  206. Deep ultraviolet photopumped stimulated emission from partially relaxed AlGaN multiple quantum well heterostructures grown on sapphire substrates
  207. Coherent control of polarization state rotation via Doppler broadening and Kerr nonlinearity in a spinning fast light medium
  208. Theoretical studies of strongly correlated rare-earth intermetallics RIn3 and RSn3 (R = Sm, Eu, and Gd)
  209. Control of Group Velocity via Spontaneous Generated Coherence and Kerr Nonlinearity
  210. First principle studies of structural, elastic, electronic and optical properties of Zn-chalcogenides under pressure
  211. Thermoelectric properties of SbNCa3 and BiNCa3 for thermoelectric devices and alternative energy applications
  212. Gain assisted multiple surperluminal regions via a Kerr nonlinearity in a double lambda-type atomic configuration
  213. Detailed DFT studies of the band profiles and optical properties of antiperovskites SbNCa3 and BiNCa3
  214. Density functional studies of magneto-optic properties of CdCoS
  215. The effect of Kerr nonlinearity and Doppler broadening on slow light propagation
  216. Magneto-electronic studies of anti-perovskites NiNMn3 and ZnNMn3
  217. Prediction of Molten Steel Temperature in Steel Making Process with Uncertainty by Integrating Gray-Box Model and Bootstrap Filter
  218. Pressure driven spin crossover and isostructural phase transition in LaFeO3
  219. Study of robust half-metallicity of Ga0.875Cr0.125As
  220. First principle optoelectronic studies of visible light sensitive CZT
  221. Superluminal propagation in a poly-chromatically driven gain assisted four-level N-type atomic system
  222. Conversion of optically isotropic to anisotropic CdSxSe1−x (0⩽x⩽1) alloy with S concentration
  223. Comparison of the electronic band profiles and magneto-optic properties of cubic and orthorhombic SrTbO3
  224. Structural and optoelectronic properties of the zinc titanate perovskite and spinel by modified Becke–Johnson potential
  225. ChemInform Abstract: Shift of Indirect to Direct Bandgap in Going from K to Cs in MCaF3(M: K, Rb, Cs)
  226. Robust Half-Metallicity and Magnetic Properties of Cubic Perovskite CaFeO3
  227. Robust half-metallicity in Ga1-xMnxP and Ga1-xMnxAs
  228. GGA+U studies of the cubic perovskites BaMO3 (M=Pr, Th and U)
  229. Electronic band structure of LaCoO3/Y/Mn compounds
  230. Shift of indirect to direct bandgap in going from K to Cs in MCaF3 (M = K, Rb, Cs)
  231. Electronic and optical properties of mixed Be-chalcogenides
  232. Comparison of band profiles and magnetic properties of the different phases of BaTbO3
  233. Band Profile Comparison of the Cubic Perovskites CaCoO3 and SrCoO3
  234. Electronic structure of cubic perovskite SnTaO3
  235. Ab initio calculations of structural, optical and thermoelectric properties for CoSb3 and ACo4Sb12 (A=La, Tl and Y) compounds
  236. Effect of phase transition on the optoelectronic properties of Zn1−xMgxS
  237. Optoelectronic Response of GeZn 2 O 4 through the Modified Becke—Johnson Potential
  238. Transition from optically inactive to active Mg-chalcogenides: A first principle study
  239. Theoretical studies of the band structure and optoelectronic properties of ZnOxS1−x
  240. Opto-electronic response of spinels MgAl2O4 and MgGa2O4 through modified Becke-Johnson exchange potential
  241. Optoelectronic properties of KDP by first principle calculations
  242. Shift of indirect to direct bandgap and optical response of LaAlO3 under pressure
  243. Quasiparticle optoelectronic properties of pure and doped indium oxide
  244. Structural, electronic and optical properties of CaxCd1−xO and its conversion from semimetal to wide bandgap semiconductor
  245. Photodetachment of a Homo-Nuclear Linear Tetra-Atomic Negative Molecular Ion
  246. Robust half-metallicity of AlCoN and AlNiN
  247. Effect of size reduction on the electronic and ferromagnetic properties of the In2O3 nanoparticles
  248. Optoelectronic properties of LixAxNbO3 (A=Na, K, Rb, Cs, Fr) crystals
  249. Photodetachment of H − near a Hard Spherical Surface
  250. Investigation of half metallicity in Fe doped CdSe and Co doped CdSe materials
  251. First principle study of cubic perovskites: AgTF3 (T=Mg, Zn)
  252. Structural and Optoelectronic Properties of Cubic CsPbF 3 for Novel Applications
  253. Robust Half-Metallicity in a Chromium-Substituted AlN
  254. Theoretical studies of structural and magnetic properties of cubic perovskites PrCoO3 and NdCoO3
  255. First principle study of the structural and optoelectronic properties of cubic perovskites CsPbM3 (M=Cl, Br, I)
  256. The investigation of spherical effects on the photodetached electron spectra
  257. Investigation of Linear Tetra-Atomic Negative Ion by Photodetached-Electron Spectra
  258. Bandgap engineering of Cd1−xSrxO
  259. Linear and nonlinear optical response of MgxZn1−xO: A density functional study
  260. Interferences in Photodetached Electron Spectra from a Linear Tetra-Atomic Negative Ion
  261. Diffusion of Six-Atom Cu Islands on Cu(111) and Ag(111)
  262. Theoretical investigation of half-metallicity in Co/Ni substituted AlN
  263. Cr-Doped III–V Nitrides: Potential Candidates for Spintronics
  264. Ab initio study of the bandgap engineering of Al1−xGaxN for optoelectronic applications
  265. Investigation of structural and optoelectronic properties of BaThO3
  266. Classification of partially reflecting surfaces using photodetached electron spectrum
  267. Nanocrystals formation and intense green emission in thermally annealed AlN:Ho films for microlaser cavities and photonic applications
  268. Generalized gradient calculations of structural, electronic and optical properties of MgxCd1−xO oxides
  269. Luminescence from Cr^+3-doped AlN films deposited on optical fiber and silicon substrates for use as waveguides and laser cavities
  270. Conversion of Direct to Indirect Bandgap and Optical Response of B Substituted InN for Novel Optical Devices Applications
  271. Theoretical investigation of half metallicity in Fe/Co/Ni doped ZnSe material systems
  272. Bandgap investigations and the effect of the In and Al concentration on the optical properties of In_xAl_1−xN
  273. Electron penetration depth in amorphous AlN exploiting the luminescence of AlN:Tm/AlN:Ho bilayers
  274. Interferences in photodetachment of a triatomic negative ion
  275. Ultraviolet spectroscopy of Pr+3 and its use in making ultraviolet filters
  276. The influence of Sr and Fe on the conductance of magnetoresistant compounds
  277. Synthesis, characterization, and biological study of some biologically potent schiff base transition metal complexes
  278. Direct ultraviolet excitation of an amorphous AlN:praseodymium phosphor by codoped Gd3+ cathodoluminescence
  279. Spectroscopy of gadolinium ion and disadvantages of gadolinium impurity in tissue compensators and collimators, used in radiation treatment planning
  280. LIMITATIONS OF GADOLINIUM ALLOYS IN CANCER TREATMENT AND RADIATION SHIELDING