Electronic and optical properties of vacancy ordered double perovskites A2BX6 (A = Rb, Cs; B = Sn, Pd, Pt; and X = Cl, Br, I): a first principles study von Faizan, Muhammad, Bhamu, K. C., Murtaza, Ghulam, He, Xin, Kulhari, Neeraj, AL‐Anazy, Murefah Mana, Khan, Shah Haidar

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Revealing optoelectronic and transport properties of potential perovskites Cs2PdX6 (X = Cl, Br): A probe from density functional theory (DFT) von Bhamu, K.C., Soni, Amit, Sahariya, Jagrati

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Investigating effect of strain on electronic and optical properties of lead free double perovskite Cs2AgInCl6 solar cell compound: A first principle calculation von Soni, Amit, Bhamu, K.C., Sahariya, Jagrati

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Ab-initio investigations for structural, mechanical, optoelectronic, and thermoelectric properties of Ba2SbXO6 (XNb, Ta) compounds von Karwasara, Hansraj, Bhamu, K.C., Kang, Sung Gu, Kushwaha, A.K., Rai, D.P., Sappati, Subrahmanyam, Sahariya, J., Soni, Amit

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Compton profiles of MoP and WP: Validation of second order generalized gradient approximation von Joshi, Ritu, Sahariya, Jagrati, Mund, H.S., Bhamu, K.C., Tiwari, Shailja, Ahuja, B.L.

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Improving the optical and thermoelectric properties of Cs 2 InAgCl 6 with heavy substitutional doping: a DFT insight von Bhamu, K C, Haque, Enamul, Praveen, C S, Kumar, Nandha, Yumnam, G, Hossain, Md Anwar, Sharma, Gautam

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Thermoelectric properties of tetragonal half-Heusler compounds, TiXSb (X = Ge, Si): A probe from Density Functional Theory (DFT) von Joshi, H., Rai, D.P., Verma, K.D., Bhamu, K.C., Thapa, R.K.

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Improving the optical and thermoelectric properties of Cs2InAgCl6 with heavy substitutional doping: a DFT insight von Bhamu, K C, Haque, Enamul, Praveen, C S, Kumar, Nandha, Yumnam, G, Md Anwar Hossain, Sharma, Gautam

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Electronic and Optical Properties of ZnAl2Se4 and Its Use in Solar Cell von Sahariya, Jagrati, Kumar, Pancham, Soni, Amit, Bhamu, K. C.

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Electronic, Optical and Thermoelectric Properties of 2H-CuAlO2: A First Principles Study von Bhamu, K. C., Khenata, R., Khan, Saleem Ayaz, Singh, Mangej, Priolkar, K. R.

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Density functional study of AgScO2: Electronic and optical properties von Bhamu, K C, Sahariya, Jagrati, Vyas, Rishi, Priolkar, K R

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Electronic structure of ceramic CrSi2 and WSi2: Compton spectroscopy and ab-initio calculations von Bhamu, K.C., Sahariya, Jagrati, Ahuja, B.L.

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Magnetism, optical, and thermoelectric response of CdFe2O4 by using DFT scheme von Mahmood, Q, Yaseen, M, C Bhamu, K, Mahmood, Asif, Javed, Y, M Ramay, Shahid

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Exploring the electronic and optical properties of AgInO2 von Bhamu, K. C., Priolkar, K. R.

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Elastic and Electronic Properties of TiC and TiN Crystals von Kumar, Jitendra, Srivastava, S. K., Sharma, Ramesh, Singh, M., Bhamu, K. C.

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Spatial–temporal spectroscopy characterizations and electronic structure of methylammonium perovskites von Liu, Zhaoyu, Bhamu, K. C., Luo, Liang, Shah, Satvik, Park, Joong-Mok, Cheng, Di, Long, Men, Biswas, Rana, Fungara, F., Shinar, Ruth, Shinar, Joseph, Vela, Javier, Wang, Jigang

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Nature of bonding in CaTiO3 and SrTiO3: A Compton scattering study von Bhamu, K.C., Dashora, Alpa, Arora, Gunjan, Ahuja, B.L.

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First principles investigations of electronics, magnetic, and thermoelectric properties of rare earth based PrYO3(Y=Cr, V) perovskites von Sabir, B., Murtaza, G., Mahmood, Q., Ahmad, R., Bhamu, K.C.

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Unveiling the dehydrogenation mechanism of 1,1,6,6-tetracyclohexylhexane: A first-principles study von Bhamu, K.C., Chung, Jin Suk, Kang, Sung Gu

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Compton profile study and electronic properties of tantalum diboride von Raykar, Veera, Bhamu, K.C., Ahuja, B.L.

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