Ushbu ish iqtibos qilgan ishlar

38 ta ish

Ish: Probing the physical properties of Sr3AsX3 (X = F and Br) perovskite compounds for prospective solar cell applications employing the DFT framework

Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
Georg Kresse, J. Furthmüller
Maqola199664 iqtibos
ABI
Projector augmented-wave method
Peter E. Blöchl
Maqola199442 iqtibos
ABI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse, Daniel P. Joubert
Maqola199939 iqtibos
ABI
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse, J. Furthmüller
Maqola199633 iqtibos
ABI
Structural, electronic, magnetic and elastic properties of xenon-based fluoroperovskites XeMF3 (M = Ti, V, Zr, Nb) via DFT studies
Abdullah Abdullah, Muhammad Sajjad, Umar Ayaz Khan +6
Maqola202213 iqtibos
ABI
Structural, Electronic and Optical Properties of Titanium Based Fluoro-Perovskites MTiF3 (M = Rb and Cs) via Density Functional Theory Computation
Abdullah Abdullah, Umar Ayaz Khan, Sajid Khan +8
Maqola202213 iqtibos
ABI
Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl3 (X = Rb, Cs): a first-principles calculations
Naimat Ullah Khan, Abdullah Abdullah, Umar Ayaz Khan +5
Maqola202311 iqtibos
ABI
First-principles calculations of mechanical properties of TiC and TiN
Yao Yang, Hao Lü, Chenjun Yu +1
Maqola20098 iqtibos
ABI
First principle study of structural, electronic, optical and mechanical properties of cubic fluoro-perovskites: (CdXF3, X = Y, Bi)
Nasir Rahman, Mudasser Husain, Juan Yang +10
Maqola20217 iqtibos
ABI
Thermophysical Properties of Materials
H.-J. Fecht, R. Wunderlich, L. Battezzati +4
Kitob19995 iqtibos
ABI
Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite CsCaCl3Compound: An ab initio Study
K. Ephraim Babu, N. Murali, K. Vijaya Babu +2
Maqola20145 iqtibos
ABI
First principles study on the electronic and optical properties of B-site ordered double perovskite Sr2MMoO6 (M=Mg, Ca, and Zn)
Shuai Zhao, Chunfeng Lan, Jie Ma +3
Maqola20155 iqtibos
ABI
The electronic and optical properties of the fluoroperovskite BaXF3 (X=Li, Na, K, and Rb) compounds
A. A. Mubarak, Ahmad A. Mousa
Maqola20125 iqtibos
ABI
Comparative study of perovskite-type scintillator materials CsCaI 3 and KCaI 3 via first-principles calculations
Byungkyun Kang, Qingguo Feng, Koushik Biswas
Maqola20175 iqtibos
ABI
Insight into the physical properties of the inter-metallic titanium-based binary compounds
Mudasser Husain, Nasir Rahman, A.H. Reshak +6
Maqola20215 iqtibos
ABI
A Density Functional Theory Investigations of Half-Heusler Compounds RhVZ (Z = P, As, Sb)
Rashid Ahmad, Nasir Mehmood
Maqola20174 iqtibos
ABI
First-principles study on the structural, electronic and optical properties of vacancy-ordered double perovskites Cs2PtI6 and Rb2PtI6
Xian‐Hao Zhao, Xiaonan Wei, Tian‐Yu Tang +4
Maqola20214 iqtibos
ABI
Study of electronic, magnetic, optical and elastic properties of Cu2MnAl a gapless full Heusler compound
Dibya Prakash Rai, R. K. Thapa
Maqola20143 iqtibos
ABI
Phase transition and elasticity of gallium arsenide under pressure
E. Güler, M. Güler
Maqola20143 iqtibos
ABI
First principles study of structural and optoelectronic properties of Li based half Heusler alloys
A. Amudhavalli, R. Rajeswarapalanichamy, K. Iyakutti +1
Maqola20183 iqtibos
ABI
First Principle Study of Structural, Electronic, Elastic, and Magnetic Properties of Half-Heusler Compounds ScTiX (X = Si, Ge, Pb, In, Sb, and Tl)
Nasir Rahman, Mudasser Husain, Juan Yang +9
Maqola20203 iqtibos
ABI
Computational prediction of structural, electronic, and optical properties and phase stability of double perovskites K2SnX6 (X = I, Br, Cl)
Un-Gi Jong, Chol‐Jun Yu, Yun-Hyok Kye
Maqola20192 iqtibos
ABI
Predicting efficiencies &gt;25% A3MX3 photovoltaic materials and Cu ion implantation modification
Hong‐Jian Feng, Qiang Zhang
Maqola20212 iqtibos
ABI
A first principle comparison of arsenic-based double halide perovskite materials for photovoltaic and optoelectronic application
Tian‐Yu Tang, Yan-Lin Tang
Maqola20222 iqtibos
ABI
An investigation on strain-incited electronic and optical properties of novel inorganic cubic material Sr3AsCl3
Md. Ferdous Rahman, Md. Monirul Islam, Md. Rasidul Islam +7
Maqola20232 iqtibos
ABI

Ushbu ish iqtibos qilgan ishlar

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Projector augmented-wave method

From ultrasoft pseudopotentials to the projector augmented-wave method

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Structural, electronic, magnetic and elastic properties of xenon-based fluoroperovskites XeMF<sub>3</sub> (M = Ti, V, Zr, Nb) <i>via</i> DFT studies

Structural, Electronic and Optical Properties of Titanium Based Fluoro-Perovskites MTiF<sub>3</sub> (M = Rb and Cs) via Density Functional Theory Computation

Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl<sub>3</sub> (X = Rb, Cs): a first-principles calculations

First-principles calculations of mechanical properties of TiC and TiN

First principle study of structural, electronic, optical and mechanical properties of cubic fluoro-perovskites: (CdXF3, X = Y, Bi)

Thermophysical Properties of Materials

Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite CsCaCl<sub>3</sub>Compound: An ab initio Study

First principles study on the electronic and optical properties of B-site ordered double perovskite Sr2MMoO6 (M=Mg, Ca, and Zn)

The electronic and optical properties of the fluoroperovskite BaXF3 (X=Li, Na, K, and Rb) compounds

Comparative study of perovskite-type scintillator materials CsCaI <sub>3</sub> and KCaI <sub>3</sub> via first-principles calculations

Insight into the physical properties of the inter-metallic titanium-based binary compounds

A Density Functional Theory Investigations of Half-Heusler Compounds RhVZ (Z = P, As, Sb)

First-principles study on the structural, electronic and optical properties of vacancy-ordered double perovskites Cs2PtI6 and Rb2PtI6

Study of electronic, magnetic, optical and elastic properties of Cu2MnAl a gapless full Heusler compound

Phase transition and elasticity of gallium arsenide under pressure

First principles study of structural and optoelectronic properties of Li based half Heusler alloys

First Principle Study of Structural, Electronic, Elastic, and Magnetic Properties of Half-Heusler Compounds ScTiX (X = Si, Ge, Pb, In, Sb, and Tl)

Computational prediction of structural, electronic, and optical properties and phase stability of double perovskites K<sub>2</sub>SnX<sub>6</sub> (X = I, Br, Cl)

Predicting efficiencies &gt;25% A3MX3 photovoltaic materials and Cu ion implantation modification

A first principle comparison of arsenic-based double halide perovskite materials for photovoltaic and optoelectronic application

An investigation on strain-incited electronic and optical properties of novel inorganic cubic material Sr3AsCl3