Search in:

Philosophical Magazine Volume 97, 2017 - Issue 22

Submit an article Journal homepage

397

Views

CrossRef citations to date

Altmetric

Part A: Materials Science

The under-pressure behaviour of mechanical, electronic and optical properties of calcium titanate and its ground state thermoelectric response

N. A. NoorCentre for High Energy Physics, University of the Punjab, Lahore, Pakistan

S. M. Alay-e-AbbasDepartment of Physics, Government College University Faisalabad, Faisalabad, Pakistan;Department of Physics, University of Sargodha, Sargodha, Pakistan

M. HassanDepartment of Physics, University of the Punjab, Lahore, Pakistan

I. MahmoodCentre for High Energy Physics, University of the Punjab, Lahore, Pakistan

Z. A. AlahmedDepartment of Physics and Astronomy, College of Science, King Saud University, RiyadhSaudi Arabia

A. H. ReshakNew Technologies – Research Center, University of West Bohemia, Pilsen, Czech Republic;School of Material Engineering, University Malaysia Perlis, Kangar, MalaysiaCorrespondence[email protected]

Pages 1884-1901 | Received 18 Sep 2016, Accepted 09 Apr 2017, Published online: 28 Apr 2017

Cite this article
https://doi.org/10.1080/14786435.2017.1320440
CrossMark

Full Article
Figures & data
References
Citations
Metrics
Reprints & Permissions

Citations (47)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Articles from other publishers (47)

Saad Tariq, Muhammad Saleem, Jawad Rao, I. A. Abdel-Latif, A. A. Mubarak, Areej Al Bahir, Saff-e-Awal Akhtar, Saleh Al-Omari & Mohsin Ali. (2023) Pressure-induced effects on PrAO3 (A = Cr and Fe) ferromagnets: a DFT study for spintronic and energy storage devices. Chemical Papers 77:12, pages 7465-7474.
Crossref

Muhammad Riaz, Syed Danish Ali, Maria Sadiq, Mubasher Ali & Syed Mansoor Ali. (2023) Computational study of inorganic halide cubic perovskite KMnX3 (X = Cl, Br) for energy harvesting applications. Chemical Physics 574, pages 112038.
Crossref

Jianbo Li, Quanwei Jiang, Zhen Tian, Huijun Kang, Zongning Chen, Enyu Guo, Zhiqiang Cao & Tongmin Wang. (2023) Controlling Precipitation and Dopant Effects To Achieve Promising Thermoelectric Performance in CaTiO 3 . ACS Applied Energy Materials 6:15, pages 8053-8062.
Crossref

Jiahao Li, Liping Sun, Xiuhong Cao & Jing Chang. (2023) First-Principles Predictions of Structural, Mechanical, and Optoelectronic Properties of Se-Based Double Perovskites A 2 SeX 6 (A = Rb, K; X = Cl, Br, I) . The Journal of Physical Chemistry C 127:21, pages 10332-10340.
Crossref

Jason Luong, Xin Wang, Alicia Tsung, Nicholas Humphrey, Huiming Guo, Benjamin X. Lam, Shaama Mallikarjun Sharada & William J. Bowman. (2023) Nanoscale Iron Redistribution during Thermochemical Decomposition of CaTi 1– x Fe x O 3−δ Alters the Electrical Transport Pathway: Implications for Oxygen-Transport Membranes, Electrocatalysis, and Photocatalysis . ACS Applied Nano Materials 6:3, pages 1620-1630.
Crossref

Ghulam M. Mustafa, Abdul Slam, Sadaf Saba, N.A. Noor, M. Waqas Iqbal & A. Dahshan. (2023) Optoelectronic and thermoelectric characteristics of halide based double perovskites K2YAgX6 (X = Br, I) for energy storage applications. Polyhedron 229, pages 116184.
Crossref

Tianyu Tang, Deyuan Hu, Xianhao Zhao, Li Li & Yanlin Tang. (2022) First-principles study on the mechanical, electronic and optical properties of double halide perovskite Cs 2 TlSbX 6 (X = Cl, Br, I) . Physica Scripta 97:12, pages 125821.
Crossref

Saba Maqsood, G. Murtaza, N.A. Noor, R. Neffati, Sadia Nazir & A. Laref. (2022) First-principle investigation of thermoelectric and optoelectronic properties of Rb2KScI6 and Cs2KScI6 double perovskite for solar cell devices. Journal of Materials Research and Technology 21, pages 841-849.
Crossref

Hafiz Muhammad Naeem Ullah, Muhammad Rizwan, Syed Shahbaz Ali, Zahid Usman, Xilan Ma & Chuanbao Cao. (2022) A computational study for mechanical, thermoelectric and optoelectronic applications of BiAlO3 under static pressure. Journal of Physics and Chemistry of Solids 168, pages 110819.
Crossref

De-Yuan Hu, Xian-Hao Zhao, Tian-Yu Tang, Li Li & Yan-Lin Tang. (2022) Insights on structural, elastic, electronic and optical properties of double-perovskite halides Rb2CuBiX6 (X=Br, Cl). Journal of Physics and Chemistry of Solids 167, pages 110791.
Crossref

Jisha Annie Abraham, Ramesh Sharma, Sajad Ahmed Dar & Suman Chowdhury. (2022) A comparative investigation of different exchange‐correlation functionals oriented prediction of structural, electronic, optical, and transport properties of the novel quaternary LiTiCoSn . International Journal of Energy Research 46:10, pages 13511-13527.
Crossref

Muhammad Waqas Iqbal, Mumtaz Manzoor, N.A. Noor, Ibadur Rehman, Nohseen Mushahid, Sikandar Aftab, Yousef Muhammad Alanazi, Hamid Ullah & Amir Muhammad Afzal. (2022) Tuning of the electronic bandgap of lead-free double perovskites K2AgBiX6 (X = Cl, Br) for solar cells applications and their thermoelectric characteristics. Solar Energy 239, pages 234-241.
Crossref

De-Yuan Hu, Xian-Hao Zhao, Tian-Yu Tang, Li-Min Lu, Li Li, Li-Ke Gao & Yan-Lin Tang. (2022) Revealing structural, elastic, electronic and optical properties of potential perovskites K2CuBiX6 (X=Br, Cl) based on first-principles. Journal of Solid State Chemistry 310, pages 123046.
Crossref

Tian-Yu Tang, Xian-Hao Zhao, De-Yuan Hu, Qi-Qi Liang, Xiao-Nan Wei & Yan-Lin Tang. (2022) Theoretical exploration of mechanical, electronic structure and optical properties of aluminium based double halide perovskite. RSC Advances 12:17, pages 10209-10218.
Crossref

De-Yuan Hu, Xian-Hao Zhao, Tian-Yu Tang, Li-Min Lu, Li Li, Li-Ke Gao & Yan-Lin Tang. (2022) Exploring the structural, electronic and optical properties of vacancy-ordered double perovskites Cs2TlAsX6 (X = I, Br, Cl) based on first-principles. Physics Letters A 427, pages 127917.
Crossref

Muhammad Waqas Mukhtar, M. Ramzan, Muhammad Rashid, Altaf Hussain, Muhammad Imran, Farah Fahim & R. Neffati. (2022) Ab-initio study of lead-free double Perovskites Cs2AgZBr6 (Z = Bi, Sb) for Solar cells and other renewable energy applications. Journal of Solid State Chemistry 306, pages 122781.
Crossref

Jianbo Li, Yanxia Wang, Xiong Yang, Huijun Kang, Zhiqiang Cao, Xue Jiang, Zongning Chen, Enyu Guo & Tongmin Wang. (2022) Processing bulk insulating CaTiO3 into a high-performance thermoelectric material. Chemical Engineering Journal 428, pages 131121.
Crossref

Muhammad Rashid, Farooq Aziz, Q. Mahmood, Nessrin A. Kattan & A. Laref. (2021) Pressure-Induced Modifications in the Optoelectronic and Thermoelectric Properties of MgHfO3 for Renewable Energy Applications. Arabian Journal for Science and Engineering 47:1, pages 777-785.
Crossref

De-Yuan Hu, Xian-Hao Zhao, Tian-Yu Tang, Li-Min Lu, Li Li, Li-Ke Gao & Yan-Lin Tang. (2021) First-principles study on the structural, elastic, electronic and optical properties of lead-free double perovskites Cs2CuBiX6 (X I, Br, Cl). Materials Today Communications 29, pages 102842.
Crossref

Hua Dai & Bin Xu. (2021) Ab initio prediction of enhanced thermoelectric performance from bulk to monolayer Sb2S2Te. Materials Science and Engineering: B 274, pages 115478.
Crossref

A. Ali, Altaf Karim, Muhammad Rashid, A.I. Aljameel, Hind Albalawi, Manal Morsi, S Bouzgarrou & Q. Mahmood. (2021) First-principles calculations of mechanical, optoelectronic, and thermal properties of double perovskite K2GeCl/Br6 for solar cell applications. Journal of Physics and Chemistry of Solids 159, pages 110295.
Crossref

Muhammad Waqas Mukhtar, M. Ramzan, Muhammad Rashid, Gul Naz, Muhammad Imran, Farah Fahim, Abeer A. AlObaid, Tahani I. Al-Muhimeed & Q. Mahmood. (2021) New lead-free double perovskites A2NaInI6 (A = Cs, Rb) for solar cells and renewable energy; first principles analysis. Materials Science and Engineering: B 273, pages 115420.
Crossref

De-Yuan Hu, Xian-Hao Zhao, Tian-Yu Tang, Li Li, Li-Ke Gao & Yan-Lin Tang. (2021) First-principles calculations to investigate structural, elastic, electronic and optical properties of lead-free perovskite derivatives Cs2SeX6 (X=Cl, Br, I). Optical Materials 119, pages 111316.
Crossref

N.A. Noor, M. Waqas Iqbal, Taharh Zelai, Asif Mahmood, H.M. Shaikh, Shahid M. Ramay & Waheed Al-Masry. (2021) Analysis of direct band gap A2ScInI6 (A=Rb, Cs) double perovskite halides using DFT approach for renewable energy devices. Journal of Materials Research and Technology 13, pages 2491-2500.
Crossref

Anwar Ul Haq, Ghulam M. Mustafa, Muhammad Amin, Shahid M. Ramay & Asif Mahmood. (2021) Ab‐initio study of opto‐electronic and thermoelectric properties of direct bandgap double perovskites Rb 2 XGaBr 6 (XNa, K) . International Journal of Energy Research 45:6, pages 9241-9251.
Crossref

M. Hassan, M. Liaqat & Q. Mahmood. (2021) Pressure dependence of electronic, optical and thermoelectric properties of RbTaO3 perovskite. Applied Physics A 127:4.
Crossref

Muniba Huma, Muhammad Rashid, Q. Mahmood, Eman Algrafy, Nessrin A. Kattan, A. Laref & A.S. Bhatti. (2021) Physical properties of lead-free double perovskites A2SnI6 (A= Cs, Rb) using ab-initio calculations for solar cell applications. Materials Science in Semiconductor Processing 121, pages 105313.
Crossref

Muhammad Rashid, R. B. Behram, Irfan Qasim, T. Ghrib & Nessrin A. Kattan. (2020) Systematic study of optoelectronic and thermoelectric properties of AHfO3 (A = Ca, Ba) perovskites at various pressure via ab-initio calculations. The European Physical Journal B 93:12.
Crossref

Muhammad Rashid, R. B. Behram, Farooq Aziz, Asif Mahmood, Nessrin A. Kattan & S. M. Ramay. (2020) Optoelectronic pressure dependent study of alkaline earth based zirconates AZrO3 (A = Ca, Ba, Sr) using ab-initio calculations. The European Physical Journal B 93:9.
Crossref

Marryam Aslam, Aslam Khan, M. Asghar Hashmi, M. Sajjad, Eman Algrafy, Ghulam M. Mustafa, Asif Mahmood & Shahid M. Ramay. (2020) Physical characteristics of CdZrO3 perovskite at different pressure for optoelectronic application. Journal of Materials Research and Technology 9:5, pages 9965-9971.
Crossref

Mujtaba Hussain, Muhammad Rashid, Awais Ali, Muhammad Fahad Bhopal & A.S. Bhatti. (2020) Systematic study of optoelectronic and transport properties of cesium lead halide (Cs2PbX6; X=Cl, Br, I) double perovskites for solar cell applications. Ceramics International 46:13, pages 21378-21387.
Crossref

Sadia Nazir, N. A. Noor, Qadeer Afzal & Asif Mahmood. (2020) Pressure-Induced Thermodynamic and Opto-Electronic Behavior of BeTiO3 Perovskite: A DFT Investigation. Journal of Electronic Materials 49:5, pages 3072-3079.
Crossref

Muhammad Rashid. (2019) Study of Vanadium Difluoride AVF3 (A = Na, K, Rb) for Optoelectronic and Thermoelectric Device Applications via Ab Initio Calculations. Journal of Superconductivity and Novel Magnetism 33:4, pages 1167-1175.
Crossref

Sadia Nazir, I. Mahmood, N.A. Noor, A. Laref & M. Sajjad. (2019) Ab-initio simulations of MgTiO3 oxide at different pressure. High Energy Density Physics 33, pages 100715.
Crossref

Bin Xu, Liangong Song, Gaohui Peng, Jing Zhang, Shanshan Ma, Yusheng Wang & Yuanxu Wang. (2019) Thermoelectric performance of monolayer Bi2Te2Se of ultra low lattice thermal conductivity. Physics Letters A 383:28, pages 125864.
Crossref

Q. Mahmood, N.A. Noor, Muhammad Rashid, Bakhtiar Ul Haq, A. Laref & Irfan Qasim. (2019) Physical properties of alkali metals-based iodides via Ab-initio calculations. Journal of Physics and Chemistry of Solids 132, pages 68-75.
Crossref

Q. Mahmood, M. Rashid, Bin Amin, N.A. Noor & A. Laref. (2019) Theoretical prediction of optoelectronic and thermoelectric properties of RbXO2 (X = Al, Ga, In) for renewable energy applications. Chemical Physics Letters 728, pages 87-93.
Crossref

Sudipta Pramanik, K. Ravikumar, Rajib Kalsar, Satyam Suwas & Bikramjit Basu. (2019) On the orientation relationships in phase transformation of CaTiO3. Ceramics International 45:9, pages 12509-12515.
Crossref

Sadia Khawar, N A Noor, Aysha Malik, Bakhtiar Ul Haq & A Laref. (2019) Ab-initio investigations of structural, optoelectronic and thermoelectric properties of AIn 2 Se 4 (A = Zn, Cd) spinels . Materials Research Express 6:8, pages 086308.
Crossref

Muhammad Rashid, Q Mahmood, Faizan Babar, Shahid M Ramay & Asif Mahmood. (2019) Study of mechanical, electronic and optical properties of PbZrO 3 and PbHfO 3 ; DFT approach . Materials Research Express 6:6, pages 066311.
Crossref

Abeeha Batool, M.A. Faridi, Q. Mahmood, Bakhtiar Ul Haq, A. Laref & Saeed Ehsan Awan. (2018) The pressure-induced indirect to direct bandgap transition and thermoelectric response in SrTiO3: An ab-initio study. Journal of Physics and Chemistry of Solids 123, pages 70-75.
Crossref

N.A. Noor, Q. Mahmood, M. Hassan, A. Laref & Muhammad Rashid. (2018) Physical properties of cubic BaGeO3 perovskite at various pressure using first-principle calculations for energy renewable devices. Journal of Molecular Graphics and Modelling 84, pages 152-159.
Crossref

N.A. Noor, Q. Mahmood, Muhammad Rashid, Bakhtiar Ul Haq, A. Laref & S.A. Ahmad. (2018) Ab-initio study of thermodynamic stability, thermoelectric and optical properties of perovskites ATiO3 (A=Pb, Sn). Journal of Solid State Chemistry 263, pages 115-122.
Crossref

B. Amin, Farzana Majid, M. Bilal Saddique, Bakhtiar Ul Haq, A. Laref, Tahani A. Alrebdi & Muhammad Rashid. (2018) Physical properties of half-metallic AMnO3 (A = Mg, Ca) oxides via ab initio calculations. Computational Materials Science 146, pages 248-254.
Crossref

Saba Maqsood, Muhammad Rashid, Fasih Ud Din, M. Bilal Saddique & A. Laref. (2017) Theoretical Investigation of Half-Metallic Oxides XFeO3 (X = Sr, Ba) via Modified Becke–Johnson Potential Scheme. Journal of Electronic Materials 47:3, pages 2032-2041.
Crossref

N.A. Noor, M. Hassan, Muhammad Rashid, S.M. Alay-e-Abbas & A. Laref. (2018) Systematic study of elastic, electronic, optical and thermoelectric properties of cubic BiBO3 and BiAlO3 compounds at different pressure by using ab-initio calculations. Materials Research Bulletin 97, pages 436-443.
Crossref

Jiahao Li, Xiuhong Cao & jing chang. (2022) First principles prediction of structural, mechanical and optoelectronic properties of lead-free double perovskites A2SeX6 (A=Rb, K; X=Cl, Br, I). SSRN Electronic Journal.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Share icon
Back to Top

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.

People also read
Recommended articles
Cited by

To cite this article:

Reference style: APA Chicago Harvard

Citation copied to clipboard

Reference styles above use APA (6th edition), Chicago (16th edition) & Harvard (10th edition)

Download citation

Download a citation file in RIS format that can be imported by citation management software including EndNote, ProCite, RefWorks and Reference Manager.

Choose format: RIS BibTex RefWorks Direct Export

Choose options: Citation Citation & abstract Citation & references

The under-pressure behaviour of mechanical, electronic and optical properties of calcium titanate and its ground state thermoelectric response

Articles from other publishers (47)

Information for

Open access

Opportunities

Help and information

Your download is now in progress and you may close this window

Login or register to access this feature

The under-pressure behaviour of mechanical, electronic and optical properties of calcium titanate and its ground state thermoelectric response

Citations (47)

Articles from other publishers (47)

Reprints and Corporate Permissions

Academic Permissions

Related research

To cite this article:

Download citation

Information for

Open access

Opportunities

Help and information

Keep up to date