Spin-resolved electronic structure and thermoelectric performance of A₂RuBr₆ (A = Cs, Rb) double perovskites

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Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressures

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Influence of transition metal on the mechanical and thermodynamic properties of IrAl thermal barrier coating

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A first-principles calculation on structural, electronic, magnetic, mechanical, and thermodynamic properties of SrAmO3

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Equations of state and thermodynamics of solids using empirical corrections in the quasiharmonic approximation

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First principles insights on the structural, mechanical, dynamical, thermoelectric and thermodynamics properties of novel topological (ScSb) semi-metal

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DFT calculations of opto-electronic, mechanical, thermodynamic, and transport properties of XCeO3 (X= Mg, Ca, and Ba) perovskite

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Tuning of the electronic bandgap of lead-free double perovskites K2AgBiX6 (X = Cl, Br) for solar cells applications and their thermoelectric characteristics

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Low-symmetry rhombohedral GeTe thermoelectrics

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Realizing high figure of merit in heavy-band p-type half-Heusler thermoelectric materials

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Investigation of structural, magneto-electronic, elastic, mechanical and thermoelectric properties of novel lead-free halide double perovskite Cs2AgFeCl6: first-principles calcuations

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10.3390/coatings11020185

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Enhancement of thermoelectric efficiency in PbTe by distortion of the electronic density of states

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Exploring the role of strong electron correlation on the structural, magnetic, and electronic properties of CaNbO3/La2MnVO6 perovskite oxide heterostructure: an ab initio study

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Investigation of the structural, electronic, magnetic, and optical properties of CsXO3 (X= Ge, Sn, Pb) perovskites: a first-principles calculations

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Half-metalicity, mechanical, optical, thermodynamic, and thermoelectric properties of full Heusler alloys Co2TiZ (Z= Si; Ge; Sn)

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Determination of the critical carrier concentration for the metal–insulator transition in ga-doped ZnO

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Study of structural, electronic, optical and thermodynamic properties of SnSiO3 compound: a DFT study

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Bulk modulus of cubic perovskites

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Dynamical theory of crystal lattices

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First principle studies on structural, electronic, elastic, optical, and thermoelectric properties of XGeCl3 (X=Rb/cs): promising compounds for green energy application

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Mechanical analysis of polycrystalline and single-crystalline silicon microstructures

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First-principle calculations of the cohesive energy and the electronic properties of PbTiO3

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High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites

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Optoelectronic property tuning of A2BX6 (A= In, tl; B= Pd, pt; X= Cl, Br, I): a first-principles study

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Improving the modified Becke-Johnson exchange potential

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Meh1, pressure dependence of the ElasticModuu in Aluminum-rich A1-L i compounds

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Generalized gradient approximation made simple

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Full-potential, linearized augmented plane wave programs for crystalline systems

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First-principles investigation of A₂MgAlH₆ (A = Li, Na, K) double perovskite hydrides for structural stability, optoelectronic response, and hydrogen storage

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Surface modification of perovskite active layers using heteroatom-doped porous carbon to mitigate film defects for the development of highly-efficient solar cells and X-ray detectors

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CsPbI₃ quantum dots for photovoltaic applications: structure, physics, and device-level strategies for enhanced performance

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10.1038/s41598-021-86145-x

10.1038/s41598-021-86145-x · doi-reference

Computational design of low-band-gap double perovskites

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Lead-free halide double perovskites: structure, luminescence, and applications

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Absolute volume deformation potentials of inorganic ABX3 halide perovskites: the chemical trends

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Formability of abx3 (x= f, cl, br, i) halide perovskites

10.1107/s0108768108032734 · doi-reference

Review on polymers for thermoelectric applications

10.3390/ma7096701 · doi-reference

A review of thermoelectrics research–recent developments and potentials for sustainable and renewable energy applications

10.1016/j.rser.2013.12.053 · doi-reference