Iranian Journal of Physics Research

Keywords = نظریۀ تابعی چگالی

Number of Articles: 12

Investigation of electronic and thermal properties of SnN-InO by using density functional theory

Volume 24, Issue 2, Summer 2024, Pages 183-189

https://doi.org/10.47176/ijpr.24.2.11830

Mojtaba Ashhadi, Tahereh Shabanzade Hesari

The magnetic and half-metallic properties of the d0-quaternary Heusler alloys KYBX(Y=Ca or Sr, X=S or Se) in ab-initio approach

Volume 24, Issue 2, Summer 2024, Pages 227-235

https://doi.org/10.47176/ijpr.24.4.51893

maryam eliasi, Ali Mokhtari

Investigation of the Effect of Yttrium Doping on Oxygen Ion Diffusion in Zirconia using DFT Method for Enhancing SOFC Electrolyte Design

Volume 24, Issue 1, Spring 2024, Pages 51-59

https://doi.org/10.47176/ijpr.24.1.21803

MohammadAli Ahmadzadeh, Masoud Panjepour, S. Javad Hashemifar

g-SiC and g-SiC2 siligraphenes as two multifunctional H2S sensing materials

Volume 23, Issue 4, Winter 2024, Pages 585-596

https://doi.org/10.47176/ijpr.23.4.71721

Hamed Mahdavinejad, Rosa Safaiee, Mohamad Hossein Sheikhi

Relativistic effects in the study of structure and electronic properties of UO2 within DFT+U method

Volume 23, Issue 3, Autumn 2023, Pages 141-146

https://doi.org/10.47176/ijpr.23.3.11777

Mahmoud Payami Shabestar, Samira Sheykhi

Comparison of SMC and OMC results in determining the ground-state and meta-stable states solutions for UO2 in the DFT+U method

Volume 23, Issue 3, Autumn 2023, Pages 189-195

https://doi.org/10.47176/ijpr.23.3.11820

Mahmoud Payami

Theoretical investigation of using armchair and zigzag ‎carbon nano rings for DNA sequencing based on density ‎functional theory

Volume 22, Issue 4, Winter 2023, Pages 879-897

https://doi.org/10.47176/ijpr.22.4.51450

Eshagh Khodaparast Siyahmazgi, Mohammad Qasemnazhand, Farah Marsusi

Spin-symmetry broken ground-state of UO2 in DFT+U approach: the SMC method

Volume 22, Issue 3, Autumn 2022, Pages 175-184

https://doi.org/10.47176/ijpr.22.3.81568

Mahmoud Payami Shabestar

Ab initio study of electronic and thermoelectric properties of a new B2CO monolayer

Volume 22, Issue 2, Summer 2022, Pages 305-313

https://doi.org/10.47176/ijpr.22.2.51243

mojtaba Ashhadi, Davoud Vahedi Fakhrabad

Investigation of the interaction of 5-fluorouracil anticancer drug connected to the pristine, titanium doped boron phosphide nanocage (B12P12) with adenine nucleobases: by density functional theory

Volume 22, Issue 2, Summer 2022, Pages 565-584

https://doi.org/10.47176/ijpr.22.2.01341

M Rezaei Sameti, Atefeh Rezaei

Mobility and thermoelectric properties of semiconducting diamanes

Volume 22, Issue 1, Spring 2022, Pages 229-236

https://doi.org/10.47176/ijpr.22.1.91309

Somaieh Ahmadi Soltansaraie

Investigation of electron transport properties in fullerene and fullerane nanocages

Volume 21, Issue 3, Autumn 2021, Pages 441-448

https://doi.org/10.47176/ijpr.21.3.01146

M Qasemnazhand, F Khoeini, M Badakhshan

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Iranian Journal of Physics Research

Investigation of electronic and thermal properties of SnN-InO by using density functional theory

The magnetic and half-metallic properties of the d0-quaternary Heusler alloys KYBX(Y=Ca or Sr, X=S or Se) in ab-initio approach

Investigation of the Effect of Yttrium Doping on Oxygen Ion Diffusion in Zirconia using DFT Method for Enhancing SOFC Electrolyte Design

g-SiC and g-SiC2 siligraphenes as two multifunctional H2S sensing materials

Relativistic effects in the study of structure and electronic properties of UO2 within DFT+U method

Comparison of SMC and OMC results in determining the ground-state and meta-stable states solutions for UO2 in the DFT+U method

Theoretical investigation of using armchair and zigzag ‎carbon nano rings for DNA sequencing based on density ‎functional theory

Spin-symmetry broken ground-state of UO2 in DFT+U approach: the SMC method

Ab initio study of electronic and thermoelectric properties of a new B2CO monolayer

Investigation of the interaction of 5-fluorouracil anticancer drug connected to the pristine, titanium doped boron phosphide nanocage (B12P12) with adenine nucleobases: by density functional theory

Mobility and thermoelectric properties of semiconducting diamanes

Investigation of electron transport properties in fullerene and fullerane nanocages

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