Elastic, electronic and optical properties of cotunnite TiO2 from first principles calculations

Tariq Mahmood; Chuanbao Cao; Faheem K. Butt; Haibo Jin; Zahid Usman; Waheed S. Khan; Zulfiqar Ali; Muhammad Tahir; Faryal Idrees; Maqsood Ahmed

doi:10.1016/j.physb.2012.08.006

JOURNAL ARTICLE

Elastic, electronic and optical properties of cotunnite TiO2 from first principles calculations

Tariq Mahmood Chuanbao Cao Faheem K. Butt Haibo Jin Zahid Usman Waheed S. Khan Zulfiqar Ali Muhammad Tahir Faryal Idrees Maqsood Ahmed

Year: 2012 Journal: Physica B Condensed Matter Vol: 407 (22)Pages: 4495-4501 Publisher: Elsevier BV

DOI: 10.1016/j.physb.2012.08.006

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Keywords:

Anatase Shear modulus Materials science Debye model Pseudopotential Bulk modulus Rutile Anisotropy Density functional theory Dielectric Elastic modulus Condensed matter physics Thermodynamics Computational chemistry Chemistry Composite material Optics Photocatalysis Physics Optoelectronics Organic chemistry

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Transition Metal Oxide Nanomaterials

Physical Sciences → Materials Science → Polymers and Plastics

Nuclear materials and radiation effects

Physical Sciences → Materials Science → Materials Chemistry

Microwave Dielectric Ceramics Synthesis

Physical Sciences → Engineering → Electrical and Electronic Engineering

Elastic, electronic and optical properties of cotunnite TiO2 from first principles calculations

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